Japanese	IMS HP

Updated Febraury, 2011

116) Photo-isomerization and Proton-coupled Electron Transfer (PCET) Promoted Water Oxidation by Mononuclear Cyclometalated Ruthenium Catalysts,
S.K. Padhi, R. Fukuda, M. Ehara, K. Tanaka,
submitted.

115) Nonradiative Decay Dynamics of Methyl 4-Hydroxycinnamate and Its Hydrated Complex Revealed by Picosecond Pump-Probe Spectroscopy,
D. Shimada, R. Kusaka, Y. Inokuchi, M. Ehara, T. Ebata,
submitted.

114) Excited States and Electronic Spectra of Annulated Dinuclear Free-Base Phthalocyanines: a Theoretical Study on Near-IR-Absorbing Dyes
R. Fukuda, M. Ehara,
submitted.

113) Mechnism of Aerobic Oxidation of Methanol to Formic Acid on Au8(-): A DFT Study,
S. Karanjit, K. Bobuatong, R. Fukuda, M. Ehara, H. Sakurai,
Int. J. Quantum Chem. in press.

112) Does B3LYP Correctly Desscribe Megnetism of Manganese Complexes with Various Oxidation Numbers and Various Structural Motifs?,
S. Yamanaka, et al.,
Chem. Phys. Lett. 519-520, 134-140 (2012).

111) Enhancement of Catalytic Reactivity of Zinc(II) Complex by a Cyclotriveratrylene-Capped Structure,
Y. Makita, K. Ikeda, K. Sugimoto, T. Fujita, T. Danno, K. Bobuatong, M. Ehara, S. Fujiwara, A. Ogawa,
J. Organometallic. Chem. in press.

110) Double Core-Hole Correlation Satellite Spectra of N2 and CO Molecules,
M. Tashiro, K. Ueda, M. Ehara,
Chem. Phys. Lett. 521, 45-51 (2012).

109) Theoretical Study on Aerobic Oxidation of Methanol to Formic Acid on Au20(-) Cluster,
K. Bobuatong, S. Karanjit, R. Fukuda, M. Ehara, H. Sakurai,
Phys. Chem. Chem. Phys. in press.

108) Photophysical Properties and Photochemistry of EE-, ZE-, and ZZ- 1,4-dimethoxy-2,5-bis[2-(thien-2-yl)ethyenyl]benzene in Solution: Theory and Experiment,
S. Suramitr, S. Phalinyot, P. Wolschann, R. Fukuda, M. Ehara, S. Hannongbua,
J. Phys. Chem. A. 116, 924-937 (2012).

107) Molecular Double Core Hole Electron Spectroscopy of Nucleobases,
O. Takahashi, M. Tashiro, M. Ehara, K. Yamasaki, K. Ueda,
J. Phys. Chem. A. 115, 12070-12082 (2011).

106) Auger Decay of Molecular Double Core Hole States,
M. Tashiro, K. Ueda, M. Ehara,
J. Chem. Phys. 135, 022139-1-14 (2011).

105) Double Core-Hole Spectroscopy for Chemical Analysis with an Intense X-Ray Femtosecond Laser,
N. Berrah, L. Fang, T. Osipov, B. Murphy, K. Ueda, E. Kukk, R. Feifel, P. van der Meulen, P. Salen, H. Schmidt, R. Thomas, M. Larsson, R. Richter, K. C. Prince, J. D. Bozek, C. Bostedt, S. Wada, M. N. Piancastelli, M. Tashiro, M. Ehara,
Proc. Natl. Acad. Sci. U.S.A. 108, 16912-16915 (2011).

104) Electronic Excited States of Macrocyclic Compounds: Direct SAC-CI Study
R. Fukuda, M. Ehara, H. Nakatsuji,
Procedia Computer Science: Proceedings of the International Conference on Computational Science, ICCS 2011 4, 1129-1134 (2011).

103) Symmetry-Adapted Cluster-Configuration Interaction and Equation-of-Motion Coupled Cluster Studies of Electronically Excited States of Copper Tetrachloride and Copper Tetrabromide Dianions,
M. Ehara, P. Piecuch, J. J. Lutz, J. R. Gour,
Chem. Phys. in press. (Prof. G. Delgado-Barrio Issue)

102) Excited-state Geometry and Vibrational Frequency Studied by the Analytical Energy Gradients of the SAC-CI Method I, Application to HAX Type Molecules,
M. Ehara, F. Oyagi, Y. Abe, R. Fukuda, H. Nakatsuji,
J. Chem. Phys. 135, 044316-1-14 (2011).

101) Synthesis and Characterization of a CTV-capped Azaphosphatrane,
Y. Makita, K. Furuyoshi, K. Ikeda, T. Fujita, S. Fujiwara, M. Ehara, A. Ogawa,
Tetrahedron Lett. 52, 4129-4131 (2011).

100) Photophysical Properties and Vibrational Structure of Ladder-type Penta p-Phenylene and Carbazole Derivatives Based on SAC-CI Calculations,
P. Poolmee, M. Ehara, H. Nakatsuji,
Theor. Chem. Acc. 130, 161-173 (2011). (Prof. S. Nagase Festschrift)

99) Theoretical Spectroscopy on K-2, K-1L-1, and L-2 Double Core Hole States of SiX4 (X=H, F, Cl, and CH3) Molecules,
O. Takahashi, M. Tashiro, M. Ehara, K. Yamasaki, K. Ueda,
Chem. Phys. 384, 28-35 (2011).

98) Symmetry and Vibrationally Resolved Absorption Spectra Near the N K Edge of N2O: Experiment and Theory,
M. Ehara, T. Horikawa, R. Fukuda, H. Nakatsuji, T. Tanaka, M. Hoshino, H. Tanaka, R. Feifel, K. Ueda,
Phys. Rev. A 83, 062506-1-12 (2011).

97) Nonequilibrium Solvation for Vertical Photoemission and Photoabsorption Processes by the Symmetry-Adapted Cluster-Configuration Interaction Method in Polarizable Continuum Model,
R. Fukuda, M. Ehara, H. Nakatsuji, R. Cammi,
J. Chem. Phys. 134, 104109-1-11 (2011).

96) Theoretical Spectroscopy of O 1s and N 1s excited states of N2O,
M. Ehara, T. Horikawa, R. Fukuda, H. Nakatsuji, T. Tanaka, M. Hoshino, H. Tanaka, K. Ueda,
J. Phys.: Conf. Series, 288, 012024-1-11 (2011).

95) Double Core Hole Creation and Subsequent Auger Decay in NH3 and CH4 Molecules,
J.H.D. Eland, M. Tashiro, P. Linusson, M. Ehara, K. Ueda, R. Feifel,
Phys. Rev. Lett. 105, 213005-1-4 (2010).

94) Excited States and Electronic Spectra of Extended Tetraazaporphyrins,
R. Fukuda, M. Ehara, H. Nakatsuji,
J. Chem. Phys. 133, 144316-1-16 (2010).

93) Double Core-Hole Electron Spectroscopy for Open-Shell Molecules: Theoretical Perspective,
M. Tashiro, M. Ehara, K. Ueda,
Chem. Phys. Lett. 496, 217-222 (2010).

92) Symmetry-Adapted Cluster and Symmetry-Adapted Cluster-Configuration Interaction Method in the Polarizable Continuum Model-Theory for Solvent Effect on Electronic Excitation of Molecules in Solution,
R. Cammi, R. Fukuda, M. Ehara, H. Nakatsuji,
J. Chem. Phys. 133, 024104-1-24 (2010).

91) Molecular Double Core-Hole Electronic Spectroscopy for Chemical Analysis,
M. Tashiro, M. Ehara, H. Fukuzawa, K. Ueda, C. Buth, N. Kryzhevoi, L.S. Cederbaum,
J. Chem. Phys. 184302-1-11 (2010).
selected for the Virtual Journal of Ultrafast Science.

90) Valence Ionized States of Iron Pentacarbonyl and Ita5-Cyclopentadienyl Cobalt Dicarbonyl Studied by the SAC-CI Calculation and Collision-Energy Resolved Penning Ionization Electron Spectroscopy,
R. Fukuda, M. Ehara, H. Nakatsuji, N. Kishimoto, K. Ohno,
J. Chem. Phys. 132 084302-1-12 (2010).

89) Vibrational Spectra and Geometry Relaxation in Core-Electronic Processes of N2O and CO2,
M. Ehara, K. Ueda,
J. Phys. Conf. Series, 235, 012020-1-9 (2010).

88) The Effect of Vibrational Motion on the Dynamics of Shape Resonant Photoionization of BF3 Leading to the E2A1' State of BF3+,
R.R. Lucchese, R. Montuoro, K. Kotsis, M. Tashiro, M. Ehara, J.D. Bozek, A. Das, E.D. Poliakoff,
Mol. Phys. 108, 1055-1067 (2010).

87) Ab initio Study of the Excited Singlet States of All trans a,w-Diphyenylpolyenes with One to Seven Polyene Double Bonds: Simulation of the Spectral Data within Franck-Condon Approximation,
W. Mizukami, Y. Kurashige, M. Ehara, T. Yanai, T. Itoh,
J. Chem. Phys. 131, 174313-1-10 (2009).

86) High-precision Ab initio Core-level Spectroscopy,
M. Ehara,
J. Phys. Conf. Series. 194, 012006-1-8 (2009).

85) Electronic Structure and Optical Properties of Chelating Hetero-Atomic Conjugated Molecules: A SAC-CI Study,
Y. Lu, M. Ehara,
Theor. Chem. Acc., 124, 395-408 (2009).

84) Absorption and Emission Spectra of UVB Blocking Methoxy Substituted Cinnamates Investigated by the SAC-CI Method,
M. Promkatkaew, S. Suramitr, T. K. Monhaphola, S. Namuangrukd, M. Ehara, S. Hannongbua,
J. Chem. Phys. 131, 224306-1-10 (2009).

83) Theoretical Spectroscopy of Inner-shell Electronic Processes and Photochemistry of Fluorecent Molecules,
M. Ehara, H. Nakatsuji,
Progress in Theoretical Chemistry and Physics 20, Advances in the Theory of Atomic and Molecular Systems: Dynamics, Spectroscopy, Clusters, and Nanostructures, 103-124 (2009).

82) Low-lying Valence Excited States of Open-shell Triatomic Molecules Studied Using the Electron-attached and Ionized Symmetry-Adapted Cluster-Configuration Interaction and Equation-of-Motion Coupled Cluster Methodologies,
M. Ehara, J.R. Gour, P. Piecuch,
Mol. Phys., 107, 871-880 (2009). (Prof. H.S. Schaefer III Issue)

81) High Resolution X-ray Photoelectron Spectroscopy on Nitrogen Molecules,
K. Ueda, R. Puttner, N.A. Cherepkov, F. Gel’mukhanov, M. Ehara,
Eur. Phys. J. (special topics), 169, 95-107 (2009).

80) Possible Reaction Pathway in Methanol Dehydrogenation on Pt and Ag Surfaces/Clusters Starting from OH Scission: Dipped Adcluster Model Study,
T. Watanabe, M. Ehara, K. Kuramoto, H. Nakatsuji,
Surf. Sci., 603, 641-646 (2009).

79) Relativistic Effect in the K-shell Ionizations: SAC-CI general-R Study based on DK2 Hamiltonian,
M. Ehara, K. Kuramoto, H. Nakatsuji,
Chem. Phys., 356, 195-198 (2009). (Prof. W. Kutzelnigg Issue)

78) Electronic Transitions in cis- and trans- Dichloroethylenes and in Tetrachloroethylene,
S. Arulmozhiraja, M. Ehara, H. Nakatsuji,
J. Chem. Phys., 129, 174506-1-8 (2008).

77) Geometry Relaxation after Inner-Shell Electronic Excitations and Ionizations,
M. Ehara, H. Nakatsuji,
Coll. Czech. Chem. Commun., 73, 771-785 (2008).

76) Mechanism of the Palladium-Catalyzed Regioselective Silaboration of Allene: Theoretical Study,
Y. Abe, K. Kuramoto, M. Ehara, H. Nakatsuji, M. Suginome, M. Murakami, Y. Ito,
Organometallics, 27, 1736-1742 (2008).

75) Vibration-Induced Suppression of Valence-Rydberg Mixing in the O 1s → nsσ Rydberg Series in N2O,
T. Tanaka, M. Hoshino, H. Kato, M. Ehara, N. Yamada, R. Fukuda, H. Nakatsuji, Y. Tamenori, J.R. Harries, G. Pruemper, H. Tanaka, K. Ueda,
Phys. Rev. A. 77, 012709-1-4 (2008).

74) Coupling between Substituents as a Function of Cage Structure. Synthesis and Valence Ionized States of Bridgehead Disubstituted Parent and Hexafluorinated Bicyclo[1.1.1]pentane Derivatives, C5X6Y2,
M. Ehara, S. Fukawa, H. Nakatsuji, D. David, E. Z. Pinkhassik, M. Apostol, J. Michl,
Chemistry - An Asian Journal, 2, 1007-1019 (2007).

73) Ground and Excited States of Singlet, Cation Doublet, and Anion Doublet States of o-Benzoquinone: A Theoretical Study,
Y. Honda, M. Hada, M. Ehara, H. Nakatsuji,
J. Phys. Chem. A. 111, 2634-2639 (2007).

72) Vibrationally Resolved Central and Terminal Nitrogen K-shell Photoelectron Spectra of the Dinitrogen Oxide Molecule,
M. Ehara, R. Tamaki, H. Nakatsuji, R.R. Lucchese, J. Soderstrom, T. Tanaka, M. Hoshino, M. Kitajima, H. Tanaka, A. De Fanis, K. Ueda,
Chem. Phys. Lett. 438, 14-19 (2007).

71) Investigation of the Electronic Spectra and Excited State Geometries of Poly-para-Phenylene Vinylene and Poly-para-Phenylene by Symmetry-Adapted Cluster-Configuration Interaction (SAC-CI) Method,
B. Saha, M. Ehara, H. Nakatsuji,
J. Phys. Chem. A. 111, 5473-5481 (2007).

70) Symmetry and Vibrationally Resolved Absorption Spectra Near the O K Edge of N2O: Experiment and Theory,
T. Tanaka, R. Feifel, H. Tanaka, M. Hoshino, M. Kitajima, L. Karlsson, K. Ueda, M. Ehara, R. Fukuda, R. Tamaki, H. Nakatsuji,
Chem. Phys. Lett. 435, 182-187 (2007).

69) Electronic Excitations of Fluoroethylene,
S. Arulmozhiraja, M. Ehara, H. Nakatsuji,
J. Chem. Phys. 126, 044306-1-10 (2007).

68) Active-space Symmetry-Adapted-Cluster Configuration-Interaction and Equation-of-Motion Coupled-Cluster Methods for High Accuracy Calculations of Potential Energy Surfaces of Radicals,
Y. Ohtsuka, P. Piecuch, J.R. Gour, M. Ehara, H. Nakatsuji,
J. Chem. Phys. 126, 164111-1-28 (2007).

67) Vibrationally Resolved C and O1s Photoelectron Spectra of Carbon Dioxide,
T. Hatamoto, M. Matsumoto, X.-J. Liu, K. Ueda, M. Hoshino, K. Nakagawa, T. Tanaka, H. Tanaka, M. Ehara, R. Tamaki, H. Nakatsuji,
J. Electron Spectrosc. Relat. Phenom. 155, 54-57 (2007).

66) C4Cl: Bent or Linear?
S. Arulmozhiraja, M. Ehara, H. Nakatsuji,
J. Chem. Phys. 125, 194314-1-7 (2006).

65) C1s and O1s Photoelectron Satellite Spectra of CO with the Symmetry-Dependent Vibrational Excitations,
M. Ehara, K. Kuramoto, H. Nakatsuji, M. Hoshino, T. Tanaka, M. Kitajima, H. Tanaka, Y. Tamenori, A. De Fanis, K. Ueda,
J. Chem. Phys. 125, 114304-1-10 (2006).

64) Singly and Doubly Excited States of Butadiene, Acrolein, and Glyoxal: Geometries and Electronic Spectra,
B. Saha, M. Ehara, H. Nakatsuji,
J. Chem. Phys. 125, 014316-1-14 (2006).

63) High Resolution O 1s Photoelectron Satellite Spectrum of H2O,
R. Sankari, M. Ehara, H. Nakatsuji, A. De Fanis, S. Aksela, S. L. Sorensen, M. N. Piancastelli, K. Ueda,
Chem. Phys. Lett. 422, 51-57 (2006).

62) Symmetry-Dependent Vibrational Excitation in N 1s Photoionization of N2: Experiment and Theory,
M. Ehara, H. Nakatsuji, M. Matsumoto, T. Hatamoto, X.-J. Liu, T. Lischke, G. Pruemper, T. Tanaka, C. Makochekanwa, M. Hoshino, H. Tanaka, J. R. Harries, Y. Tamenori, K. Ueda,
J. Chem. Phys. 124, 124311-1-8 (2006).

61) Electronic Spectra and Photodissociation of Vinyl Chloride ? A SAC-CI Study,
S. Arulmozhiraja, R. Fukuda, M. Ehara, H. Nakatsuji,
J. Chem. Phys. 124, 034312-1-6 (2006).

60) Vibrationally Resolved C and O 1s Photoelectron Spectra of Carbon Monoxide,
M. Matsumoto, K. Ueda, E. Kukk, H. Yoshida, T. Tanaka, M. Kitajima, H. Tanaka, Y. Tamenori, K. Kuramoto, M. Ehara, H. Nakatsuji,
Chem. Phys. Lett. 417, 89-93 (2006).

59) Valence Ionized States of 4π-Electron Molecules with Low-Lying Satellites nπ* and ππ* Transitions,
M. Ehara, M. Nakata, H. Nakatsuji,
Mol. Phys. 104, 971-982 (2006). (Prof. M. Robb Issue)

58) Theoretical Studies on Magnetic Circular Dichroism by the Finite Perturbation Method and Relativistic Corrections,
Y. Honda, M. Hada, M. Ehara, H. Nakatsuji, J. Michl,
J. Chem. Phys. 123, 164113-1-9 (2005).

57) SAC-CI Theoretical Investigation on Electronic Structure of Fluorene-Thiophene Oligomers,
P. Poolmee, M. Ehara, S. Hannongbua, H. Nakatsuji,
Polymer, 46, 6474-6481 (2005).

56) Theoretical Fine Spectroscopy with SAC-CI Method: Outer- and Inner-Valence Ionization Spectra of Furan, Pyrrole, and Thiophene,
M. Ehara, Y. Ohtsuka, H. Nakatsuji, M. Takahashi, Y. Udagawa,
J. Chem. Phys. 122, 234319-1-10 (2005).

55) Outer- and Inner-Valence Ionization Spectra of CO and N2: SAC-CI General-R Study,
M. Ehara, M. Ishida, H. Nakatsuji,
Collection of Czechoslovak Chemical Communications, 70, 881-904 (2005). (Paldus Volume)

54) Symmetry-Resolved Vibrational Spectra of Carbon K-shell Photoelectron Satellites in Carbon Monoxide: Experiment and Theory,
K. Ueda, M. Hoshino, T. Tanaka, M. Kitajima, H. Tanaka, A. De Fanis, Y. Tamenori, M. Ehara, F. Oyagi, K. Kuramoto, H. Nakatsuji,
Phys. Rev. Lett. 94, 243004 1-4 (2005).

53) Iterative CI General Singles and Doubles (ICIGSD) Method for Calculating the Exact Wave Functions of the Ground and Excited States of Molecules,
H. Nakatsuji, M. Ehara,
J. Chem. Phys. 122, 194108-1-7 (2005).

52) C1s and O1s Photoelectron Spectra of Formaldehyde with Satellites: Theory and Experiment,
K. Kuramoto, M. Ehara, H. Nakatsuji, M. Kitajima, H. Tanaka, A. De Fanis, Y. Tamenori, K. Ueda,
J. Electron Spectrosc. Relat. Pheonom. 142, 253-259 (2005). (Prof. Kimura Issue)

51) Theoretical Fine Spectroscopy with SAC-CI General-R Method: First-Row K-shell Ionizations and Their Satellites,
K. Kuramoto, M. Ehara, H. Nakatsuji,
J. Chem. Phys. 122, 014304-1-7 (2005).

50) Analytical Energy Gradient of the Symmetry Adapted Cluster-Configuration Interaction General-R Method for Singlet to Septet Ground and Excited States,
M. Ishida, K. Toyota, M. Ehara, H. Nakatsuji, M. J. Frisch,
J. Chem. Phys. 120, 2593-2605 (2004).

49) Vibrationally Resolved O 1s Photoelectron Spectrum of Water,
R. Sankari, M. Ehara, H. Nakatsuji, Y. Senba, K. Hosokawa, H. Yoshida, A. De Fanis, Y. Tamenori, S. Aksela, K. Ueda,
Chem. Phys. Lett. 380, 647-653 (2003).

48) Electronic Excitations of the Green Fluorescent Protein Chromophore in its Protonation States,
A.K. Das, J. Hasegawa, T. Miyahara, M. Ehara, H. Nakatsuji,
J. Comp. Chem. 24, 1421-1431 (2003).

47) Theoretical Investigation on the Valence Ionization Spectra of Cl2O, ClOOCl, and F2O by Correlation-Based Configuration Interaction Methods,
P. Tomasello, M. Ehara, H. Nakatsuji,
J. Chem. Phys. 118, 5811-5820 (2003).

46) Fine Theoretical Spectroscopy using SAC-CI General-R Method: Outer- and Inner-Valence Ionization Spectra of N2O and HN3,
M. Ehara, S. Yasuda, H. Nakatsuji,
Z. Phys. Chem. 217, 161-176 (2003). (Prof. Peyerimhoff Issue)

45) Singularity-Free Analytical Energy Gradients for the SAC/SAC-CI Method: Coupled Perturbed Minimum Orbital-Deformation (CPMOD) Approach,
K. Toyota, M. Ishida, M. Ehara, M. J. Frisch, H. Nakatsuji,
Chem. Phys. Lett. 367, 730-736 (2003).

44) Excited and Ionized States of Aniline: Symmetry-Adapted Cluster-Configuration Interaction Theoretical Study,
Y. Honda, M. Hada, M. Ehara, H. Nakatsuji,
J. Chem. Phys. 117, 2045-2052 (2002).

43) Peralkylated Tetrasilanes: Conformational Dependence of the Photoelectron Spectrum,
H. A. Forgarty, H. Tsuji, D. E. David, C.-H. Ottosson, M. Ehara, H. Nakatsuji, K. Tamao, J. Michl,
J. Phys. Chem. A 106, 2369-2373 (2002).

42) Fine Theoretical Spectroscopy Using SAC-CI General-R Method: Outer- and Inner-Valence Ionization Spectra of CS2 and OCS,
M. Ehara, M. Ishida, H. Nakatsuji,
J. Chem. Phys. 117, 3248-3255 (2002).

41) Structure of the Exact Wave Function. V. Iterative CI Method for Molecular Systems within Finite Basis,
H. Nakatsuji, M. Ehara,
J. Chem. Phys. 117, 9-12 (2002).

40) Elimination of Singularities in Molecular Orbital Derivatives: Minimum Orbital-Deformation (MOD) Method,
K. Toyota, M. Ehara, H. Nakatsuji,
Chem. Phys. Lett. 356, 1-6 (2002).

39) Excited and Ionized States of p-Benzoquinone and its Anion Radical: SAC-CI Theoretical Study,
Y. Honda, M. Hada, M. Ehara, H. Nakatsuji,
J. Phys. Chem. A 106, 3838-3849 (2002).

38) Relativistic Effects on Magnetic Circular Dichroism Studied by GUHF/SECI Method,
Y. Honda, M. Hada, M. Ehara, H. Nakatsuji, J. Downing, J. Michl,
Chem. Phys. Lett. 355, 219-225 (2002).

37) Excited States of Na and Al Iso-Electronic Ions: Symmetry-Adapted Cluster-Configuration Interaction Study,
A. K. Das, M. Ehara, H. Nakatsuji,
Intern. J. Quantum Chem. 87, 81-88 (2002).

36) Density Matrix Variational Theory: Application to the Potential Energy Surfaces and Strongly Correlated Systems,
M. Nakata, M. Ehara, H. Nakatsuji,
J. Chem. Phys. 116, 5432-5439 (2002).

35) Electronic Excitation Spectra of Cl2O, ClOOCl, and F2O: A SAC-CI Study,
P. Tomasello, M. Ehara, H. Nakatsuji,
J. Chem. Phys. 116, 2425-2432 (2002).

34) Outer- and Inner-Valence Ionization Spectra of NH3, PH3, and AsH3: Symmetry-Adapted Cluster-Configuration Interaction General-R Study,
M. Ishida, M. Ehara, H. Nakatsuji,
J. Chem. Phys. 116, 1934-1943 (2002).

33) Analytical Energy Gradient of High-Spin Multiplet State Calculated by the SAC-CI Method,
M. Ishida, K. Toyota, M. Ehara, H. Nakatsuji,
Chem. Phys. Lett. 350, 351-358 (2001).

32) Analytical Energy Gradients of the Excited, Ionized and Electron-Attached States Calculated by the SAC-CI General-R Method,
M. Ishida, K. Toyota, M. Ehara, H. Nakatsuji,
Chem. Phys. Lett. 347, 493-498 (2001).

31) Variational Calculations of Fermion Second-Order Reduced Density Matrices by Semidefinite Programming Algorithm,
M. Nakata, H. Nakatsuji, M. Ehara, M. Fukuda, K. Nakata, K. Fujisawa,
J. Chem. Phys. 114, 8282-8292 (2001).

30) Theoretical Study on the Outer- and Inner-Valence Ionization Spectra of H2O, H2S and H2Se Using the SAC-CI General-R Method,
M. Ehara, M. Ishida, H. Nakatsuji,
J. Chem. Phys. 114, 8990-8999 (2001).

29) Electronic Excitation and Ionization Spectra of Azabenzenes: Pyridine Revisited by the Symmetry-Adapted Cluster-Configuration Interaction Method,
J. Wan, M. Hada, M. Ehara, H. Nakatsuji,
J. Chem. Phys. 114, 5117-5123 (2001).

28) Electronic Excitation Spectrum of Thiophene Studied by Symmetry-Adapted Cluster-Configuration Interaction Method,
J. Wan, M. Hada, M. Ehara, H. Nakatsuji,
J. Chem. Phys. 114, 842-850 (2001).

27) Excited States of Ne Isoelectronic Ions: SAC-CI Study,
A. K. Das, M. Ehara, and H. Nakatsuji,
Eur. Phys. J. D 13, 195-200 (2001).

26) Electronic Excitation Spectra of Furan and Pyrolle: Revisited by the Symmetry-Adapted Cluster- Configuration Interaction Method,
J. Wan, J. Meller, M. Hada, M. Ehara, H. Nakatsuji,
J. Chem. Phys. 113, 7853-7866 (2000).

25) Electronic Excitation and Ionization Spectra of Cyclopentadiene: Revisit by the Symmetry- Adapted Cluster-Configuration Interaction Method,
J. Wan, M. Ehara, M. Hada, H. Nakatsuji,
J. Chem. Phys. 113, 5245-5252 (2000).

24) Direct Determination of Second-Order Density Matrix Using Density Equation: Open-Shell System and Excited State,
M. Nakata, M. Ehara, K. Yasuda, H. Nakatsuji,
J. Chem. Phys. 112, 8772-8778 (2000).

23) CASSCF Study of Bonding in NiCO and FeCO,
X. Xu, X. Lu, N. Wang, Q. Zhang, M. Ehara, H. Nakatsuji,
Intern. J. Quantum Chem. 72, 221-231 (1999).

22) Direct Determination of the Density Matrix Using the Density Equation: Potential Energy Curves of HF, CH4, BH3, NH3, and H2O,
M. Ehara, M. Nakata, H. Kou, K. Yasuda, H. Nakatsuji,
Chem. Phys. Lett. 305, 483-488 (1999).

21) Theoretical Studies of the Potential Energy Surface and Wavepacket Dynamics of the Li3 System,
M. Ehara, K. Yamashita,
Theor. Chem. Acc. 102, 226-236 (1999). (Fukui Issue)

20) Cluster Modeling of Metal Oxides: Case Study of MgO and the CO/MgO Adsorption System,
X. Xu, H. Nakatsuji, X. Lu, M. Ehara, Y. Cai, N. Q. Wang, Q. E. Zhang,
Theor. Chem. Acc. 102, 170-179 (1999). (Fukui Issue)

19) SAC-CI General-R Study on the Ionization Spectrum of HCl,
M. Ehara, P. Tomasello, J. Hasegawa, H. Nakatsuji,
Theor. Chem. Acc. 102, 161-164 (1999). (Fukui Issue)

18) Heterolytic Adsorption of H2 on ZnO (1010) Surface: An Ab Initio SPC Cluster Model Study,
X. Lu, X. Xu, N. Wang, Q. Zhang, M. Ehara, H. Nakatsuji,
J. Phys. Chem. 103, 2689-2695 (1999).

17) Ionization Spectrum of CO2 Studied by the SAC-CI General-R Method,
M. Ehara, H. Nakatsuji,
Spectrochim. Acta. 55, 487-493 (1999).

16) SPC Cluster Modeling of Metal Oxides: Ways of Determining the Values of Point Charges in the Embedded Cluster Model,
X. Xu, H. Nakatsuji, M. Ehara, X. Lu, N. Wang, Q. Zhang,
Science in China (Series B). 41, 113-121 (1998).

15) Cluster Modeling of Metal Oxides: the Influence of the Surrounding Point Charges on the Embedded Cluster,
X. Xu, H. Nakatsuji, M. Ehara, X. Lu, N. Q. Wang, Q. E. Zhang,
Chem. Phys. Lett. 292, 282-288 (1998).

14) Cluster Modeling of Metal Oxides: How to Cut Out a Cluster?,
X. Lu, X. Xu, N. Wang, Q. Zhang, M. Ehara, H. Nakatsuji,
Chem. Phys. Lett. 291, 445-452 (1998).

13) New Aspects of the Photodissociation of Water in the First Absorption Band: How Strong is Excitation of the First Triplet State?,
T. Schoder, R. Schinke, M. Ehara, K. Yamashita,
J. Chem. Phys. 109, 6641-6646 (1998).

12) Theoretical Study on the Ionized States of Ethylene by the SAC-CI (General-R) Method,
J. Hasegawa, M. Ehara, H. Nakatsuji,
Chem. Phys. 230, 23-30 (1998).

11) Outer- and Inner-Valence Ionization Spectra of N2 and CO: SAC-CI (General-R) Compared with Full-CI Spectra,
M. Ehara, H. Nakatsuji,
Chem. Phys. Lett. 282, 347-354 (1998).

10) Ionization Spectra of XONO2 (X=F, Cl, Br, I) Studied by the SAC-CI Method,
M. Ehara, Y. Ohtsuka, H. Nakatsuji,
Chem. Phys. 226, 113-123 (1998).

9) Multiconfiguration Time-Dependent Hartree (MCTDH) Study on Rotational and Diffractive Inelastic Molecule-Surface Scattering,
M. Ehara, H.-D. Meyer, L. S. Cederbaum,
J. Chem. Phys. 105, 8865-8877 (1996).

8) Collision Induced Absorption Spectra and Line Broadening of CsRg System (Rg=Xe, Kr, Ar, and Ne) Studied by the Symmetry-Adapted Cluster-Configuration Interaction (SAC-CI) Method,
M. Ehara, H. Nakatsuji,
J. Chem. Phys. 102, 6822-6830 (1995).

7) Symmetry-Adapted Cluster-Configuration Interaction Study on the Excited and Ionized States of TiBr4 and TiI4,
H. Nakatsuji, M. Ehara,
J. Chem. Phys. 101, 7658-7671 (1994).

6) Hyperfine Splitting Constants Studied by the Symmetry-Adapted Cluster-Configuration Interaction Method,
H. Nakatsuji, M. Ehara, T. Momose,
J. Chem. Phys. 100, 5821-5828 (1994).

5) Exponentially Generated Configuration Interaction (EGCI) Method Applied to High-Spin Multiplicity,
M. Ehara, H. Nakatsuji,
J. Chem. Phys. 99, 1952-1961 (1993).

4) Symmetry-Adapted Cluster-Configuration Interaction Method Applied to High-Spin Multiplicity,
H. Nakatsuji, M. Ehara,
J. Chem. Phys. 98, 7179-7184 (1993).

3) Multiphoton Ionization of Rb2 in the Wavelength Range 620-670 nm,
H. Suemitsu, H. Kitaura, R. Yokoyama, M. Ehara, H. Nakatsuji,
J. Phys. B.: Atomic, Molecular and Optical Physics 25, 4507-4517 (1992).

2) Theoretical Study on the Excited and Ionized States of Titanium Tetrachloride,
H. Nakatsuji, M. Ehara, M. H. Palmer, M. F. Guest,
J. Chem. Phys. 97, 2561-2570 (1992).

1) Collision-Induced Absorption Spectra of CsXe System Studied by SAC-CI Theory,
H. Nakatsuji, M. Ehara,
Chem. Phys. Lett. 172, 261-264 (1990).

7) Development of SAC-CI general-R Method for Theoretical Fine Spectrosocpy,
M. Ehara, H. Nakatsuji
Recent Progress in Coupled Cluster Methods: Theory and Applications, pp. 79-112, edited by P. Carsky, J. Pittner, J. Paldus (Springer, 2010).

6) Electronic Structure and Optical Properties of Conjugated Molecules: SAC-CI Study,
M. Ehara, B. Saha, P. Poolmee, M. Prmkatkaew, S. Hannongbua, Y. Lu, H. Nakatsuji
in AIP (American Institute of Physics) Conference Proceedings, COMPUTATION IN MODERN SCIENCE AND ENGINEERING: Proceedings of the International Conference on Computational Methods in Science and Engineering 2009 (ICCMSE 2009): VOLUME 1, in press.

5) Photochemistry of Biological Chemosensors, Organic Light-Emitting Diodes, and Inner-shell Electronic Processes,
M. Ehara, H. Nakatsuji
in AIP (American Institute of Physics) Conference Proceedings 995, Proceedings of the Workshop on Nuclei and Mesoscopic Physics (WNMP07), 145-151 (2008).

4) Photochemistry of Organic Light-Emitting Diode,
M. Ehara, H. Nakatsuji
in AIP (American Institute of Physics) Conference Proceedings 963, COMPUTATION IN MODERN SCIENCE AND ENGINEERING: Proceedings of the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007): VOLUME 2, PARTS A and B, 306-310 (2007).

3) SAC-CI Method Applied to Molecular Spectroscopy,
M. Ehara, J. Hasegawa, H. Nakatsuji,
in Theory and Applications of Computational Chemistry: The First 40 Years,
pp. 1099-1141, edited by C.E. Dykstra, G. Frenking, K.S. Kim, G.E. Scuseria, (Elsevier, Oxford, 2005).

2) Density Matrix Variational Theory: Strength of Weinhold-Wilson Inequalities,
M. Nakata, M. Ehara, and H. Nakatsuji,
in Fundamental World of Quantum Chemistry I,
pp. 543-557 edited by E.J. Brandas and E. S. Kryachko (Kluwer Academic, Netherlands, 2003).

1) SAC-CI general-R method: Theory and Applications to the Multi-Electron Processes,
M. Ehara, M. Ishida, K. Toyota, H. Nakatsuji,
in Reviews in Modern Chemistry, pp. 293-319, edited by K. D. Sen (World Scientific, Singapore, 2002).

4) Computational Materials Chemistry for Photofunctional Molecules Based on the Highly Accurate Electronic Structure Theory
M. Ehara, R. Fukuda,
Expected Materials for the Future, 12(2), pp. 15-22, (NTS, 2012).

3) Development and Applications of Highly Accurate Electronic Structure Theory for Molecular Excited States
M. Ehara,
Chemstry and Inductry, June, pp. 576-578 (The Chemical Society of Japan, 2008).

2) Quantum Chemical Calculations for Surface-Molecule Interacting System
H. Nakatsuji, M. Ehara,
Handbook of Surface Physical Properties and Engineering, pp. 51-54 (Maruzen, 2007).

1) Quantum Chemical Studies of Excited-state Molecules
H. Nakatsuji, M. Ehara, Organic Synthetic Chemistry Institute Lecture Note, 6, pp. 115-129 (1992).

Others

3) Gaussian 09,
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, and D. J. Fox,
Gaussian, Inc., Wallingford CT, 2009.

2) Gaussian 03,
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, and J. A. Pople,
Gaussian, Inc., Pittsburgh PA, 2003.

1) SAC/SAC-CI program system (SAC-CI96) for calculating ground, excited, ionized, and electron-attached states having singlet to septet spin multiplicities", 1996,
H. Nakatsuji, M. Hada, M. Ehara, J. Hasegawa, T. Nakajima, H. Nakai, O. Kitao, K. Toyota,
Computer Center of the Institute for Molecular Science, Okazaki, Japan.

42) TBA
M. Ehara
The 31st European Congress on Molecular Spectroscopy (EUCMOS),
August 26-31, 2012 (Invited Talk).

41) "Recent Developments and Applications of SAC-CI"
M. Ehara
The 1^st International Workshop on "Computer Simulations of Thermally Excited Molecules and Materials by First Principles", Nagoya, Japan,
March 10-11, 2012 (Invited Talk).

40) "Recent Progress and Applications of SAC-CI",
M. Ehara
The 5th Asian Pacific Conference of Theoretical & Computational Chemistry, Rotorua, New Zealand,
December 9-13, 2011 (Invited Talk).

39) "Theoretical Spectroscopy and Photophysical Chemistry by SAC-CI",
M. Ehara,
Recent Advances in Many-electron Theory II - 2011, India,
December 1-4, 2011 (Invited Talk).

39) "Theoretical Spectroscopy and Photophysical Chemistry Based on Electronic Structure Theory"
M. Ehara,
ENSCP-IMS joint symposium, Paris, France,
November 7-8, 2011 (Invited Talk).

38) "The SAC-CI Method: Theory and Applications"
M. Ehara,
The 8th Thai Summer School of Computational Chemistry, Chiang Mai,
September 24-27, 2011 (Lecturer).

37) "Theoertical Spectroscopy on Photo-functional Molecules with SAC-CI"
M. Ehara,
4th Japan-Czech-Slovak Symposium, Prague, Czech
May 18-20, 2011 (Invited Talk).

36) Photophysical Chemistry and Theoretical Spectroscopy: Recent Progress in SAC-CI Approach"
M. Ehara,
Southeastern Luisiana Univ., USA
March 11, 2011 (Invited Lecture).

35) "Theoretical Fine Spectroscopy and Photophysical Chemistry with the SAC-CI Method"
M. Ehara,
Pacifichem 2010 Congress; Symposium for "Computational Quantum Chemistry: Theory and Interactions with Experiment", Hawaii, USA
December 15-20, 2010 (Invited Talk).

34) "Photochemistry of Functional Molecules Studied by the SAC-CI Method"
M. Ehara,
Pacifichem 2010 Congress; Symposium for "Molecular Theory for Real Systems and Chemical Reactions", Hawaii, USA
December 15-20, 2010 (Invited Talk).

33) "Photophisical Chemistry based on the SAC-CI Method"
M. Ehara,
The 1st Chlalongkorn - Institute for Molecular Science Joint Symposium, Bangkok, Thailand,
October 20-21, 2010 (Lecture).

32) Theoretical Spectroscopy of Core-Electron Processes and Solvent Effect in Excited States"
M. Ehara,
The 15th International Workshop Quantum Systems in Chemistry and Physics (QSCP-XV), Cambridge, England,
August 31- September 5, 2010 (Invited Talk).

31) "Photochemistry of Functional Conjugated Molecules Studied by the SAC-CI Method"
M. Ehara,
Kolkata Univ., India,
April 9, 2010 (Invited Lecture).

30) "Photochemistry of Functional Conjugated Molecules Studied by the SAC-CI Method"
M. Ehara,
Pure and Applied Chemistry International Conference 2010, Ubon Ratchathani, Thailand,
January 21-23, 2010 (Invited Talk).

29) "Theoretical Fine Spectroscopy and Photo-physical Chemistry"
M. Ehara,
International Symposium on "Molecular Theory for Real Systems", Kyoto, Japan,
January 7-9, 2010 (Invited Talk).

28) "Theoretical Spectroscopy for Single and Double Core-Hole Ionization",
M. Ehara,
Recent Advances in Many-Electron Theories, Shankarpur, India,
January 5-7, 2010 (Invited Talk).

27) "Theoretical Fine Spectroscopy for Valence to Core-electron Chemsitry and Dynamics",
M. Ehara,
The 4th Asian Pacific Conference of Theoretical & Computational Chemistry, Port Dickson, Malaysia,
December 21-23, 2009 (Invited Talk).

26) "Core-excitation Induced Isomerization: Theoretical Consideration",
M. Ehara,
Mini-symposium on Ultrafast Electron Dynamics, Sendai, Japan,
October 15, 2009 (Invited Talk).

25) "Electronic Structure and Optical Properties of Conjugated Molecules: SAC-CI Study",
M. Ehara,
International Conference of Computational Methods in Sciences and Engineering 2009, Rhodes, Greece
September 29-October 4, 2009 (Keynote Lecture).

24) "High-precision Theoretical Spectroscopy for Biological Chemosensor, Organic Light-Emitting Diodes, and Inner-shell Electronic Processes",
M. Ehara,
The 14th International Workshop Quantum Systems in Chemistry and Physics (QSCP-XVI), Madrid, Spain,
September 13-19, 2009 (Invited Talk).

23) "Core-level Theoretical Fine Spectroscopy",
M. Ehara,
The 3-rd Japan-Czech-Slovakia Joint Symposium for Theoretical/Computational Chemistry, Bratislava, Slovakia,
September 9-12, 2009 (Invited Talk).

22) "High-precision Ab initio Core-level Spectroscopy",
M. Ehara,
XXVI ICPEAC International Conference, Kalamazoo, Michigan, July 22-28, 2009 (Invited Talk).

21) "Photochemistry of Biological Chemosensor, Organic Light-Emitting Diodes, and Inner-shell Electronic Processes",
M. Ehara,
13th Annual Symposium on Computational Science and Engineering, (ANSCSE13), Bangkok, Thailand, March 25-27, 2009 (Invited Talk).

20) "Exploring Next-generation Theoretical Molecular Spectroscopy"
M. Ehara,
Symposium - Toward Future of Molecular Science -
March 7, 2009 (Invited Talk).

19) "Development and Applications of Highly Accurate Electronic Structure Theory - Theoretical Fine Spectroscopy and Photo-Electronic Processes",
M. Ehara,
The 6th Fukui Institute for Fundamental Chemistry Symposium, Kyoto,
December 2, 2008 (Invited Talk).

18) "Photochemistry of Biological Chemosensor, Organic Light-Emitting Diodes, and Inner-shell Electronic Processes",
M. Ehara,
The 13th International Workshop Quantum Systems in Chemistry and Physics (QSCP-XIII), Lansing, Michigan,
July 6-12, 2008 (Invited Talk).

17) "Theoretical Spectroscopy of the Inner-shell Electronic Processes: SAC-CI Study",
M. Ehara,
The International Workshop on Photoionization (IWP) 2008, Uppsala, Sweden,
June 15-19, 2008 (Invited Talk).

16) "Theoretical Fine Spectroscopy: from Photo-functional Molecules to Inner-shell Electronic Processes",
M. Ehara,
"Lecture of Theoretical Chemistry", Kanazawa,
January 29, 2008.

15) "Theoretical Spectroscopy of Photo-functional Materials, Photo-Biological Materials, and Inner-shell Electronic Processes",
M. Ehara,
The 2nd Japan-Czech-Slovakia Joint Symposium for Theoretical/Computational Chemistry, Kyoto, Japan,
December 7-9, 2007 (Invited Talk).

14) "Highly Accurate Excited-state Theory: Development and Applications",
M. Ehara,
Scientific Research in Priority Areas "Molecular Theory for Real Systems", Group A01 meeting, Fukuoka,
November, 23-24, 2007

13) "Photochemistry of Biological Chemosensor, Organic Light-Emitting Diodes, and Inner-shell Electronic Processes"
M. Ehara,
Workshop on Nuclei and Mesoscopic Physics, Michigan, USA.
October 19-22, 2007 (Invited Talk).

12) "Photochemistry of Organic Light-Emitting Diodes"
M. Ehara
International Conference of Computational Methods in Sciences and Engineering 2007 - Multi-scale Simulations for Materials and Life Sciences -, Corfu, Greece
September 25-30, 2007 (Invited Talk).

11) "Theoretical Fine Spectroscopy: Excited-state Structure Relaxation and Dynamics",
M. Ehara,
Molecular Science Colloquium, Sendai,
Feburary 28, 2007 (Invited Talk).

10) "Theoretical Spectroscopy of Inner-shell Electronic Processes",
M. Ehara, H. Nakatsuji
International Symposium on Spectroscopy, Reaction Dynamics and Manipulation of Atoms and Molecules, Sendai, Japan
February 26-27, 2007 (Invited Talk).

9) "Theoretical Spectroscopy of Inner-shell Electronic Processes, Photo-Functional Materials, and Photo-Biological Materials",
M. Ehara,
Recent Trends in Many-Body Methods for Electronic Structure and Properties of Atoms and Molecules, Orissa, India
January 11-13, 2007 (Invited Talk).

8) "Photochemistry of Organic Light Emitting Diode and Fluorescent Probe",
M. Ehara, H. Nakatsuji
International Congress on Structure & Dynamics: from Micro to Macro, Calcutta, India
December 14-16, 2006 (Invited Talk).

7) "Theoretical Fine Spectroscopy: Challenge to Experiment",
M. Ehara,
XII-th International Congress of Quantum Chemistry, Kyoto, Japan
May 21-26, 2006 (Invited Talk).

6) "Theoretical Fine Spectroscopy: Vibrational Spectra and Excited-State Structure",
M. Ehara,
1st Czech-Japan Theoretical Chemistry Symposium, Praha, Czech
September 14-16, 2005 (Invited Talk).

5) "Theoretical Fine Spectroscopy: Inner-shell Electronic Processes and Vibrational Spectra",
M. Ehara,
International Symposium on Analysis and Control of Molecular Quantum Processes, Sendai, Japan
July 12, 2005 (Invited Talk).

4) "Theoretical Fine Spectroscopy: Challenge to Experiment",
M. Ehara, H. Nakatsuji,
Memorial Symposium on Molecular Informatics, Modeling, and Simulation (MS MI MS 2004), St. John's, Newfoundland, Canada
June 23-26, 2004 (Invited Talk).

3) "Theoretical Fine Spectroscopy: Challenge to Experiment",
M. Ehara,
1st Asian Pacific Conference on Theoretical & Computational Chemistry (APCTCC), Okazaki, Japan
May 12-15, 2004 (Invited Talk).

2) "Fine Theoretical Spectroscopy with SAC-CI Method",
M. Ehara, H. Nakatsuji,
Theory and Applications of Computational Chemistry, Gyeongju, Korea
Feburary 15-20, 2004. (Contributed Talk)

1) "SAC-CI Theoretical Spectroscopy",
M. Ehara,
Molecular Structure Conference 2003, Kyoto,
September 24-27, 2003 (Invited Talk).