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[文献書誌] H.Nakatsuji: "Structure of the exact wave function. II Iterative configuration interaction method"J. Chem. Phys.. 115. 2000-2006 (2001)
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[文献書誌] H.Nakatsuji: "Structure of the exact wave function. III Exponential ansatz"J. Chem. Phys.. 115. 2465-2475 (2001)
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[文献書誌] H.Nakatsuji: "Structure of the exact wave function. IV. Excited states from exponential ansatz and comparative calculations by the iterative configuration interaction and extended coupled cluster theories"J. Chem. Phys.. 116. 1811-1824 (2002)
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[文献書誌] M.Hada: "Quasi-Relativistic Study of 125Te Nuclear Magnetic Shielding Constants and Chemical Shifts"J. Comp. Chem. 33. 1502-1508 (2001)
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[文献書誌] M.Ehara: "Theoretical study on the outer-and inner-valence ionization spectra of H_2O, H_2S, and H_2Se using the SAC-CI general-R method"J. Chem. Phys.. 114. 8990-8999 (2001)
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[文献書誌] M.Nakata: "Variational calculations of fermion second-order reduced density matrices by semidefinite programming algorithm"J. Chem. Phys.. 114. 8282-8292 (2001)
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[文献書誌] J.Wan: "Electronic excitation spectrum of thiophene studied by symmetry-adapted cluster configuration interaction method"J. Chem. Phys.. 114. 842-850 (2001)
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[文献書誌] J.Wan: "Electronic excitation and ionization spectra of azabenzenes : Pyridine revisited by the symmetry-adapted cluster configuration interaction method"J. Chem. Phys.. 114. 5117-5123 (2001)
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[文献書誌] A.K.Das: "Excited states of Ne isoelectronic ions : SAC-CI study"Eur. Phys. J. D. 13. 195-200 (2001)
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[文献書誌] M.Ishida: "Analytical energy gradients of the excited, ionized and electron-attached states calculated by the SAC-CI general-R method"Chem. Phys. Lett.. 347. 493-498 (2001)
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[文献書誌] M.Ishida: "Analytical energy gradient of high-spin multiplet state calculated by the SAC-CI method"Chem. Phys. Lett.. 350. 351-358 (2001)
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[文献書誌] M.Ishida: "Outer-and inner-valence ionization spectra of NH_3, PH_3, and AsH_3 : symmetry-adapted cluster configuration interaction general-R study"J. Chem. Phys.. 116. 1934-1943 (2001)
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[文献書誌] K.Ohkawa: "Excited States of Four Hemes in c-type Cytochrome Subunit of Photosynthetic Reaction Center of Rhodopseudomonas viridis : SAC-CI Calculations"J. Porphyrins and Phthalocyanines. 5. 256-266 (2001)
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[文献書誌] S.Fukawa: "Relativistic Effects and the Halogen Dependencies in the 13C Chemical Shifts of CH4-nIn, CH4-nBrn, CC14-nIn, and CBr4-nIn(n=O--4)"J. Comp. Chem.. 22. 528-536 (2001)
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[文献書誌] J.Wan: "Quasi-Relativistic Study of 199Hg Nuclear Magnetic Shielding Constants of Dimethylmercury, Disilylmercury, and Digermylmercury"J. Phys. Chem.A. 105. 128-133 (2001)
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[文献書誌] M.Maho: "Density matrix variational theory : application to the potential energy surfaces and strongly correlated systems"J. Phys. Chem.. (in press). (2002)
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[文献書誌] H.Yamashita: "Effect of Ion-Exchanged Alkali Metal Cations on the Photolysis of 2-Pentanone Induced within ZSM-5 Zeolite Cavities : A Study of ab initio Molecular Orbital Calculations"Res. Chem. Intermed.. 27. 89-102 (2001)
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[文献書誌] A.K.Das: "Excited States of Na and Al Iso-Electronic Ions : Symmetry Adapted Cluster-Configuration Interaction Study"Intern. J. Quintum Chem.. (in press). (2002)
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[文献書誌] P.Tomasello: "Electronic excitation spectra of Cl_2O, ClOOCl : and F_2O : A SAC-CI study"J. Chem. Phys.. 116. 2425-2432 (2002)
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[文献書誌] A.K.Das: "Excited State of Na and Al Iso-Electronic Ions : Symmetry Adapted Cluster-Configuration Interaction Study"Intern. J. Quantum Chem.. (in press). (2002)
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[文献書誌] Y.Honda: "Relativistic effects on magnetic circular dichroism studied by GUHF/SECI method"Chem. Phys. Lett.. (in press). (2002)
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[文献書誌] K.Toyota: "Elimination of singularities in molecular orbital derivatives : Minimum orbital-deformation(MOD) method"Chem. Phys. Lett.. (in press). (2002)
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[文献書誌] Y.Honda: "Excited and ionized states of p-benzoquinone and its anion radical : SAC-CI theoretical study"J. Phys. Chem.. (in press). (2002)
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[文献書誌] Y.Honda: "Excited and ionized states of aniline : SAC-CI theoretical study"J. Chem. Phys.. (in press). (2002)