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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)
Scaled Schrodinger equation and the exact wave function Nakatsuji, H (2004-07-16) Physical Review Letters, 93(3)
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
Free iterative-complement-interaction calculations of the hydrogen molecule Kurokawa, Y; Nakashima, H; Nakatsuji, H (2005-12) PHYSICAL REVIEW A, 72(6)
Quasirelativistic theory for magnetic shielding constants. II. Gauge-including atomic orbitals and applications to molecules Fukuda, R; Hada, M; Nakatsuji, H (2003-01-15) JOURNAL OF CHEMICAL PHYSICS, 118(3): 1027-1035
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 (2005-07-22) JOURNAL OF CHEMICAL PHYSICS, 123(4)
Ground and excited states of linked and fused zinc porphyrin dimers: Symmetry adapted cluster (SAC)-configuration interaction (CI) study Miyahara, T; Nakatsuji, H; Hasegawa, J; Osuka, A; Aratani, N; Tsuda, A (2002-12-22) JOURNAL OF CHEMICAL PHYSICS, 117(24): 11196-11207
Iterative CI general singles and doubles (ICIGSD) method for calculating the exact wave functions of the ground and excited dstates of molecules Nakatsuji, H; Ehara, M (2005-05-15) JOURNAL OF CHEMICAL PHYSICS, 122(19)