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書誌情報	ファイル
General method of solving the Schrodinger equation of atoms and molecules Nakatsuji, H (2005) PHYSICAL REVIEW A, 72(6)
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
Theoretical fine spectroscopy with symmetry adapted cluster-configuration interaction general-R method: First-row K-shell ionizations and their satellites Kuramoto, K; Ehara, M; Nakatsuji, H (2005) JOURNAL OF CHEMICAL PHYSICS, 122(1)
Electronic excitation and ionization spectra of azabenzenes: Pyridine revisited by the symmetry-adapted cluster configuration interaction method Wan, J; Hada, M; Ehara, M; Nakatsuji, H (2001) JOURNAL OF CHEMICAL PHYSICS, 114(12): 5117-5123
Deepening and extending the quantum principles in chemistry Nakatsuji, H (2005) BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 78(10): 1705-1724
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)