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Volumn 28, Issue 2, 2003, Pages 240-249

Tools for analysing configuration interaction wavefunctions

Author keywords

[No Author keywords available]

Indexed keywords

HAMILTONIANS; MOLECULAR DYNAMICS; POLARIZATION; POTENTIAL ENERGY;

EID: 0141938975     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0927-0256(03)00110-1     Document Type: Conference Paper
Times cited : (1)

References (11)
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    • Harris, F.E.1
  • 3
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    • Monte Carlo configuration interaction
    • Greer J.C. Monte Carlo configuration interaction. J. Comp. Phys. 146:1998;181-202.
    • (1998) J. Comp. Phys. , vol.146 , pp. 181-202
    • Greer, J.C.1
  • 4
    • 0034274828 scopus 로고    scopus 로고
    • A Monte Carlo configuration generation computer program for the calculation of electronic states of atoms, molecules and quantum dots
    • Tong L., Nolan M., Cheng T., Greer J.C. A Monte Carlo configuration generation computer program for the calculation of electronic states of atoms, molecules and quantum dots. Comp. Phys. Comm. 131:2000;142-163.
    • (2000) Comp. Phys. Comm. , vol.131 , pp. 142-163
    • Tong, L.1    Nolan, M.2    Cheng, T.3    Greer, J.C.4
  • 5
    • 36149012221 scopus 로고
    • Quantum theory of many-particle systems. III. Extension of the Hartree-Fock scheme to include degenerate systems and correlation effects
    • Löwdin P.-O. Quantum theory of many-particle systems. III. Extension of the Hartree-Fock scheme to include degenerate systems and correlation effects. Phys. Rev. 97:1955;1509-1520.
    • (1955) Phys. Rev. , vol.97 , pp. 1509-1520
    • Löwdin, P.-O.1
  • 6
    • 24544432103 scopus 로고
    • Quantum theory of many-particle systems. I. Physical interpretation by means of density matrices, natural spin-orbitals, and convergence problems in the method of configurational interaction
    • Löwdin P.-O. Quantum theory of many-particle systems. I. Physical interpretation by means of density matrices, natural spin-orbitals, and convergence problems in the method of configurational interaction. Phys. Rev. 97:1955;1474-1489.
    • (1955) Phys. Rev. , vol.97 , pp. 1474-1489
    • Löwdin, P.-O.1
  • 8
    • 0013109820 scopus 로고    scopus 로고
    • Curvy steps for density-matrix based energy minimization: Tensor formulation and toy applications
    • Head-Gordon M., Shao Y., Saravanan C., White C.A. Curvy steps for density-matrix based energy minimization: tensor formulation and toy applications. Mol. Phys. 101:2003;37-43.
    • (2003) Mol. Phys. , vol.101 , pp. 37-43
    • Head-Gordon, M.1    Shao, Y.2    Saravanan, C.3    White, C.A.4
  • 9
    • 4243539377 scopus 로고
    • Electronic structure calculations on workstation computers: The program system Turbomole
    • Ahlrichs R., Bär M., Häser M., Horn H., Kölmel C. Electronic structure calculations on workstation computers: the program system Turbomole. Chem. Phys. Lett. 162:1989;165-169.
    • (1989) Chem. Phys. Lett. , vol.162 , pp. 165-169
    • Ahlrichs, R.1    Bär, M.2    Häser, M.3    Horn, H.4    Kölmel, C.5
  • 10
    • 0035933993 scopus 로고    scopus 로고
    • Impact of electron-electron cusp on configuration interaction energies
    • Prendergast D., Nolan M., Fillipi C., Fahy S., Greer J.C. Impact of electron-electron cusp on configuration interaction energies. J. Chem. Phys. 115(4):2001;1626-1634.
    • (2001) J. Chem. Phys. , vol.115 , Issue.4 , pp. 1626-1634
    • Prendergast, D.1    Nolan, M.2    Fillipi, C.3    Fahy, S.4    Greer, J.C.5
  • 11
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    • Pseudo-interactions and the electron-electron cusp
    • S. Fahy, P. Delaney, J.C. Greer, Pseudo-interactions and the electron-electron cusp, Psi-k Scientific Highlight 54. Available from < http://psi-k.dl.ac.uk/psi-k/highlights.html.
    • Psi-k Scientific Highlight , vol.54
    • Fahy, S.1    Delaney, P.2    Greer, J.C.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.