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書誌情報	ファイル
Quasirelativistic theory for the magnetic shielding constant. I. Formulation of Douglas-Kroll-Hess transformation for the magnetic field and its application to atomic systems Fukuda, R; Hada, M; Nakatsuji, H (2003-01-15) JOURNAL OF CHEMICAL PHYSICS, 118(3): 1015-1026
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)
Structure of the exact wave function. II. Iterative configuration interaction method Nakatsuji, H; Davidson, ER (2001) JOURNAL OF CHEMICAL PHYSICS, 115(5): 2000-2006
Structure of the exact wave function Nakatsuji, H (2000) JOURNAL OF CHEMICAL PHYSICS, 113(8): 2949-2956
Effect of ion-exchanged alkali metal cations on the photolysis of 2-pentanone included within ZSM-5 zeolite cavities: a study of ab initio molecular orbital calculations Yamashita, H; Nishimura, M; Bessho, H; Takada, S; Nakajima, T; Hada, M; Nakatsuji, H; Anpo, M (2001) RESEARCH ON CHEMICAL INTERMEDIATES, 27(1-2): 89-102
Roles of proteins in the electron transfer in the photosynthetic reaction center of Rhodopseudomonas viridis: Bacteriopheophytin to ubiquinone Ito, H; Nakatsuji, H (2001) JOURNAL OF COMPUTATIONAL CHEMISTRY, 22(3): 265-272
Variational calculations of fermion second-order reduced density matrices by semidefinite programming algorithm Nakata, M; Nakatsuji, H; Ehara, M; Fukuda, M; Nakata, K; Fujisawa, K (2001) JOURNAL OF CHEMICAL PHYSICS, 114(19): 8282-8292
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
Quasirelativistic theory for the magnetic shielding constant. III. Quasirelativistic second-order Moller-Plesset perturbation theory and its application to tellurium compounds Fukuda, R; Nakatsuji, H (2005) JOURNAL OF CHEMICAL PHYSICS, 123(4)