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Volumn 120, Issue 10, 2004, Pages 4619-4625

Calibration of the n-electron valence state perturbation theory approach

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PHYSICS; BENCHMARKING; DIMERS; ELECTRON TRANSITIONS; ELECTRONS; HAMILTONIANS; MATHEMATICAL MODELS; PERTURBATION TECHNIQUES;

EID: 1842560246     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1645243     Document Type: Article
Times cited : (50)

References (52)
  • 12
    • 0037780883 scopus 로고
    • H.-J. Werner and P. J. Knowles, J. Chem. Phys. 82, 5053 (1985); P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 115, 259 (1985).
    • (1985) J. Chem. Phys. , vol.82 , pp. 5053
    • Werner, H.-J.1    Knowles, P.J.2
  • 14
    • 24444434383 scopus 로고
    • H.-J. Werner and P. J. Knowles, J. Chem. Phys. 89, 5803 (1988); P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 145, 514 (1988); Theor. Chim. Acta 84, 95 (1992); H.-J. Werner and P. J. Knowles, 78, 175 (1990); H.-J. Werner, Mol. Phys. 89, 645 (1996); P. Celani and H.-J. Werner, J. Chem. Phys. 112, 5546 (2000); C. Hampel, K. Peterson, and H.-J. Werner, Chem. Phys. Lett. 190, 1 (1992); M. J. O. Deegan and P. J. Knowles, ibid. 227, 321 (1994).
    • (1988) J. Chem. Phys. , vol.89 , pp. 5803
    • Werner, H.-J.1    Knowles, P.J.2
  • 15
    • 11744301188 scopus 로고
    • H.-J. Werner and P. J. Knowles, J. Chem. Phys. 89, 5803 (1988); P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 145, 514 (1988); Theor. Chim. Acta 84, 95 (1992); H.-J. Werner and P. J. Knowles, 78, 175 (1990); H.-J. Werner, Mol. Phys. 89, 645 (1996); P. Celani and H.-J. Werner, J. Chem. Phys. 112, 5546 (2000); C. Hampel, K. Peterson, and H.-J. Werner, Chem. Phys. Lett. 190, 1 (1992); M. J. O. Deegan and P. J. Knowles, ibid. 227, 321 (1994).
    • (1988) Chem. Phys. Lett. , vol.145 , pp. 514
    • Knowles, P.J.1    Werner, H.-J.2
  • 16
    • 24444434383 scopus 로고
    • H.-J. Werner and P. J. Knowles, J. Chem. Phys. 89, 5803 (1988); P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 145, 514 (1988); Theor. Chim. Acta 84, 95 (1992); H.-J. Werner and P. J. Knowles, 78, 175 (1990); H.-J. Werner, Mol. Phys. 89, 645 (1996); P. Celani and H.-J. Werner, J. Chem. Phys. 112, 5546 (2000); C. Hampel, K. Peterson, and H.-J. Werner, Chem. Phys. Lett. 190, 1 (1992); M. J. O. Deegan and P. J. Knowles, ibid. 227, 321 (1994).
    • (1992) Theor. Chim. Acta , vol.84 , pp. 95
  • 17
    • 21544470104 scopus 로고
    • H.-J. Werner and P. J. Knowles, J. Chem. Phys. 89, 5803 (1988); P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 145, 514 (1988); Theor. Chim. Acta 84, 95 (1992); H.-J. Werner and P. J. Knowles, 78, 175 (1990); H.-J. Werner, Mol. Phys. 89, 645 (1996); P. Celani and H.-J. Werner, J. Chem. Phys. 112, 5546 (2000); C. Hampel, K. Peterson, and H.-J. Werner, Chem. Phys. Lett. 190, 1 (1992); M. J. O. Deegan and P. J. Knowles, ibid. 227, 321 (1994).
    • (1990) Theor. Chim. Acta , vol.78 , pp. 175
    • Werner, H.-J.1    Knowles, P.J.2
  • 18
    • 0001031742 scopus 로고    scopus 로고
    • H.-J. Werner and P. J. Knowles, J. Chem. Phys. 89, 5803 (1988); P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 145, 514 (1988); Theor. Chim. Acta 84, 95 (1992); H.-J. Werner and P. J. Knowles, 78, 175 (1990); H.-J. Werner, Mol. Phys. 89, 645 (1996); P. Celani and H.-J. Werner, J. Chem. Phys. 112, 5546 (2000); C. Hampel, K. Peterson, and H.-J. Werner, Chem. Phys. Lett. 190, 1 (1992); M. J. O. Deegan and P. J. Knowles, ibid. 227, 321 (1994).
    • (1996) Mol. Phys. , vol.89 , pp. 645
    • Werner, H.-J.1
  • 19
    • 0000394417 scopus 로고    scopus 로고
    • H.-J. Werner and P. J. Knowles, J. Chem. Phys. 89, 5803 (1988); P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 145, 514 (1988); Theor. Chim. Acta 84, 95 (1992); H.-J. Werner and P. J. Knowles, 78, 175 (1990); H.-J. Werner, Mol. Phys. 89, 645 (1996); P. Celani and H.-J. Werner, J. Chem. Phys. 112, 5546 (2000); C. Hampel, K. Peterson, and H.-J. Werner, Chem. Phys. Lett. 190, 1 (1992); M. J. O. Deegan and P. J. Knowles, ibid. 227, 321 (1994).
    • (2000) J. Chem. Phys. , vol.112 , pp. 5546
    • Celani, P.1    Werner, H.-J.2
  • 20
    • 0002745201 scopus 로고
    • H.-J. Werner and P. J. Knowles, J. Chem. Phys. 89, 5803 (1988); P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 145, 514 (1988); Theor. Chim. Acta 84, 95 (1992); H.-J. Werner and P. J. Knowles, 78, 175 (1990); H.-J. Werner, Mol. Phys. 89, 645 (1996); P. Celani and H.-J. Werner, J. Chem. Phys. 112, 5546 (2000); C. Hampel, K. Peterson, and H.-J. Werner, Chem. Phys. Lett. 190, 1 (1992); M. J. O. Deegan and P. J. Knowles, ibid. 227, 321 (1994).
    • (1992) Chem. Phys. Lett. , vol.190 , pp. 1
    • Hampel, C.1    Peterson, K.2    Werner, H.-J.3
  • 21
    • 0011006010 scopus 로고
    • H.-J. Werner and P. J. Knowles, J. Chem. Phys. 89, 5803 (1988); P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 145, 514 (1988); Theor. Chim. Acta 84, 95 (1992); H.-J. Werner and P. J. Knowles, 78, 175 (1990); H.-J. Werner, Mol. Phys. 89, 645 (1996); P. Celani and H.-J. Werner, J. Chem. Phys. 112, 5546 (2000); C. Hampel, K. Peterson, and H.-J. Werner, Chem. Phys. Lett. 190, 1 (1992); M. J. O. Deegan and P. J. Knowles, ibid. 227, 321 (1994).
    • (1994) Chem. Phys. Lett. , vol.227 , pp. 321
    • Deegan, M.J.O.1    Knowles, P.J.2
  • 26
    • 36449001370 scopus 로고    scopus 로고
    • P. J. Knowles, C. Hampel, and H.-J. Werner, J. Chem. Phys. 99, 5219 (1993); 112, 3106 (2000).
    • (2000) J. Chem. Phys. , vol.112 , pp. 3106
  • 32
    • 84913430917 scopus 로고
    • Program No. QG01 (GAMESS)
    • GAMESS-UK is a package of ab initio programs written by M. F. Guest, J. H. van Lenthe, J. Kendrick, K. Schoffel, and P. Sherwood, with contributions from R. D. Amos, R. J. Buenker, H. J. J. van Dam et al. The package is derived from the original GAMESS code due to M. Dupuis, D. Spangler and J. Wendoloski, NRCC Software Catalog, Vol. 1, Program No. QG01 (GAMESS), 1980.
    • (1980) NRCC Software Catalog , vol.1
    • Dupuis, M.1    Spangler, D.2    Wendoloski, J.3


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