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書誌情報	ファイル
Density matrix variational theory: Application to the potential energy surfaces and strongly correlated systems Nakata, M; Ehara, M; Nakatsuji, H (2002-04-01) JOURNAL OF CHEMICAL PHYSICS, 116(13): 5432-5439
Inverse Schrodinger equation and the exact wave function Nakatsuji, H (2002-05) PHYSICAL REVIEW A, 65(5)
Excited and ionized states of aniline: Symmetry adapted cluster configuration interaction theoretical study Honda, Y; Hada, M; Ehara, M; Nakatsuji, H (2002) JOURNAL OF CHEMICAL PHYSICS, 117(5): 2045-2052
Density matrix variational theory: Application to the potential energy surfaces and strongly correlated systems Nakata, M; Ehara, M; Nakatsuji, H (2002) JOURNAL OF CHEMICAL PHYSICS, 116(13): 5432-5439
Excited and ionized states of p-benzoquinone and its anion radical: SAC-CI theoretical study Honda, Y; Hada, M; Ehara, M; Nakatsuji, H (2002) JOURNAL OF PHYSICAL CHEMISTRY A, 106(15): 3838-3849
Density functional study on geometry and electronic structure of nitrile hydratase active site model Nowak, W; Ohtsuka, Y; Hasegawa, J; Nakatsuji, H (2002) INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 90(3): 1174-1187
Peralkylated tetrasilanes: Conformational dependence of the photoelectron spectrum Fogarty, HA; Tsuji, H; David, DE; Ottosson, CH; Ehara, M; Nakatsuji, H; Tamao, K; Michl, J (2002) JOURNAL OF PHYSICAL CHEMISTRY A, 106(10): 2369-2373
Structure of the exact wave function. V. Iterative configuration interaction method for molecular systems within finite basis Nakatsuji, H; Ehara, M (2002) JOURNAL OF CHEMICAL PHYSICS, 117(1): 9-12
Outer- and inner-valence ionization spectra of NH3, PH3, and AsH3: symmetry-adapted cluster configuration interaction general-R study Ishida, M; Ehara, M; Nakatsuji, H (2002) JOURNAL OF CHEMICAL PHYSICS, 116(5): 1934-1943
Ionized and excited states of ferrocene: Symmetry adapted cluster-configuration-interaction study Ishimura, K; Hada, M; Nakatsuji, H (2002-10-08) JOURNAL OF CHEMICAL PHYSICS, 117(14): 6533-6537