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Volumn 71, Issue 1, 1999, Pages 35-46

Complete one- and two-center partitioning scheme for the total energy in the Hartree-Fock theory

Author keywords

Bond index; Energy partitioning scheme; Hartree Fock theory; Scaling of wave function

Indexed keywords


EID: 0002956378     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1999)71:1<35::AID-QUA4>3.0.CO;2-W     Document Type: Article
Times cited : (33)

References (26)
  • 3
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    • Hartree, R. R. Proc Camb Philos Soc 1928, 24, 89; Fock, V. Z Phys 1930, 61, 126; Roothaan, C. C. J. Rev Mod Phys 1951, 23, 69.
    • (1928) Proc Camb Philos Soc , vol.24 , pp. 89
    • Hartree, R.R.1
  • 4
    • 34250926854 scopus 로고
    • Hartree, R. R. Proc Camb Philos Soc 1928, 24, 89; Fock, V. Z Phys 1930, 61, 126; Roothaan, C. C. J. Rev Mod Phys 1951, 23, 69.
    • (1930) Z Phys , vol.61 , pp. 126
    • Fock, V.1
  • 5
    • 2342430094 scopus 로고
    • Hartree, R. R. Proc Camb Philos Soc 1928, 24, 89; Fock, V. Z Phys 1930, 61, 126; Roothaan, C. C. J. Rev Mod Phys 1951, 23, 69.
    • (1951) Rev Mod Phys , vol.23 , pp. 69
    • Roothaan, C.C.J.1
  • 13
    • 0000833536 scopus 로고
    • Driessler, F.; Kutzelnigg, W. Theor Chim Acta 1976, 43, 1; Ibid. 1977, 43, 307.
    • (1977) Theor Chim Acta , vol.43 , pp. 307
  • 20
    • 0141509423 scopus 로고
    • McLean, A. D.; Chandler, G. S. J Chem Phys 1980, 72, 5639; Krishnan, R.; Binkley, J. S.; Seeger, R.; Pople, J. A. J Chem Phys 1980, 72, 650; Clark, T.; Chandrasekhar, J.; Spitznagel, G. W.; Schleyer, P. V. R. J Comp Chem 1983, 4, 294; Frisch, M. J.; Pople, J. A.; Binkley, J. S. J Chem Phys 1984, 80, 3265.
    • (1980) J Chem Phys , vol.72 , pp. 5639
    • McLean, A.D.1    Chandler, G.S.2
  • 21
    • 26844534384 scopus 로고
    • McLean, A. D.; Chandler, G. S. J Chem Phys 1980, 72, 5639; Krishnan, R.; Binkley, J. S.; Seeger, R.; Pople, J. A. J Chem Phys 1980, 72, 650; Clark, T.; Chandrasekhar, J.; Spitznagel, G. W.; Schleyer, P. V. R. J Comp Chem 1983, 4, 294; Frisch, M. J.; Pople, J. A.; Binkley, J. S. J Chem Phys 1984, 80, 3265.
    • (1980) J Chem Phys , vol.72 , pp. 650
    • Krishnan, R.1    Binkley, J.S.2    Seeger, R.3    Pople, J.A.4
  • 22
    • 84986468715 scopus 로고
    • McLean, A. D.; Chandler, G. S. J Chem Phys 1980, 72, 5639; Krishnan, R.; Binkley, J. S.; Seeger, R.; Pople, J. A. J Chem Phys 1980, 72, 650; Clark, T.; Chandrasekhar, J.; Spitznagel, G. W.; Schleyer, P. V. R. J Comp Chem 1983, 4, 294; Frisch, M. J.; Pople, J. A.; Binkley, J. S. J Chem Phys 1984, 80, 3265.
    • (1983) J Comp Chem , vol.4 , pp. 294
    • Clark, T.1    Chandrasekhar, J.2    Spitznagel, G.W.3    Schleyer, P.V.R.4
  • 23
    • 36549091139 scopus 로고
    • McLean, A. D.; Chandler, G. S. J Chem Phys 1980, 72, 5639; Krishnan, R.; Binkley, J. S.; Seeger, R.; Pople, J. A. J Chem Phys 1980, 72, 650; Clark, T.; Chandrasekhar, J.; Spitznagel, G. W.; Schleyer, P. V. R. J Comp Chem 1983, 4, 294; Frisch, M. J.; Pople, J. A.; Binkley, J. S. J Chem Phys 1984, 80, 3265.
    • (1984) J Chem Phys , vol.80 , pp. 3265
    • Frisch, M.J.1    Pople, J.A.2    Binkley, J.S.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.