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Volumn 100, Issue 31, 1996, Pages 13213-13225

Quantum chemistry and molecular processes

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; CALCULATIONS; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; MATHEMATICAL MODELS; PHYSICAL CHEMISTRY;

EID: 0030219351     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp953665+     Document Type: Article
Times cited : (218)

References (82)
  • 1
    • 0012342559 scopus 로고
    • Harper and Row: New York
    • A remark attributed to P. A. M. Dirac in 1929, as quoted for example in: La Paalia, S. R. Introductory Quantum Chemistry, Harper and Row: New York, 1971.
    • (1971) Introductory Quantum Chemistry
    • La Paalia, S.R.1
  • 7
    • 0004264260 scopus 로고
    • Academic: Boston, MA
    • The following textbooks provide a general introduction to quantum mechanics for chemists: (a) Lowe, J. P. Quantum Chemistry, Academic: Boston, MA, 1993.
    • (1993) Quantum Chemistry
    • Lowe, J.P.1
  • 8
    • 0004255576 scopus 로고
    • University Science Books: Mill Valley, CA
    • (b) McQuarrie, D. A. Quantum Chemistry; University Science Books: Mill Valley, CA, 1983.
    • (1983) Quantum Chemistry
    • McQuarrie, D.A.1
  • 13
    • 0003895523 scopus 로고
    • Academic: London
    • For a graduate level treatment of most areas of electronic structure theory, see, for example: McWeeny, R. Methods of Molecular Quantum Mechanics; Academic: London, 1989.
    • (1989) Methods of Molecular Quantum Mechanics
    • McWeeny, R.1
  • 24
    • 33750098391 scopus 로고
    • Yarkony, D. R., Ed.; World Scientific: Singapore
    • A current technical treatment of many advanced topics in electronic structure theory is given in the following compilation: Modern Electronic Structure Theory; Yarkony, D. R., Ed.; World Scientific: Singapore, 1995; Parts I and II.
    • (1995) Modern Electronic Structure Theory , Issue.1-2 PART
  • 29
    • 0001198991 scopus 로고
    • Schaefer, H. F., Ed.; Plenum: New York, k
    • For an overview, see for example; Shavitt, I. In Modern Theoretical Chemistry; Schaefer, H. F., Ed.; Plenum: New York, 1977; kVol. 4, p 189.
    • (1977) Modern Theoretical Chemistry , vol.4 , pp. 189
    • Shavitt, I.1
  • 56
  • 65
    • 36449006884 scopus 로고
    • There is of course one significant exception to this statement, which is the use of ab initio calculations to parametrize empirical potential energy surfaces, either in combination with experimental data or by itself, which defines "ab initio-derived potential energy surfaces". See for example: Weakliem, P. C.; Carter, E. A. J. Chem. Phys. 1993, 98, 737.
    • (1993) J. Chem. Phys. , vol.98 , pp. 737
    • Weakliem, P.C.1    Carter, E.A.2
  • 69
    • 0000798783 scopus 로고
    • Hartree-Fock Ab Initio Treatment of Crystalline Systems
    • Springer-Verlag: Berlin, in the series
    • Pisani, C.; Dovesi, R.; Roetti, C. Hartree-Fock Ab Initio Treatment of Crystalline Systems; Springer-Verlag: Berlin, 1988; Vol. 48 in the series Lecture Notes in Chemistry.
    • (1988) Lecture Notes in Chemistry , vol.48
    • Pisani, C.1    Dovesi, R.2    Roetti, C.3
  • 71
    • 33750092835 scopus 로고
    • Cluster Approach to the Chemistry and Physics of Surfaces and Interfaces
    • Bagus, P. S.; Pacchioni, R., Eds.
    • Bagus, P. S.; Pacchioni, R., Eds. Cluster Approach to the Chemistry and Physics of Surfaces and Interfaces; special issue of J. Electron Spectrosc. Relat. Phenom. 1994, 69.
    • (1994) J. Electron Spectrosc. Relat. Phenom. , vol.69 , Issue.SPEC. ISSUE


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.