Second-order energy components in basis-set-superposition-error-free intermolecular perturbation theory

Theoretical Chemistry Accounts

Volumn 107, Issue 1, 2001, Pages 38-47

  Hamza, A ^a,b   Vibók, Á ^b   Halasz G J ^b   Mayer, I ^a  

^a CHEMICAL RESEARCH CENTER   (Hungary)

^b UNIVERSITY OF DEBRECEN   (Hungary)

Author keywords

Chemical Hamiltonian approach; Energy components; Energy decomposition; Intermolecular interactions; Intermolecular perturbation theory

Indexed keywords

EID: 0035733257     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-001-0299-5     Document Type: Article

References (24)

1. Kitaura K, Morokuma K (1976) Int J Quantum Chem Symp 10: 325
2. (a) Umeyama H, Morokuma K (1976) J Am Chem Soc 98: 4400;
3. (b) Umeyama H, Morokuma K (1977) J Am Chem Soc 99: 1316
4. Kaplan IG (1986) Theory of molecular interactions. Elsevier, Amsterdam
5. Chalasinski G, Szczesniak MM (1994) Chem Rev 94: 1723, and references therein
6. Hayes IC, Stone AJ (1984) Mol Phys 53: 83
7. Hayes IC, Stone AJ (1984) Mol Phys 53: 107
8. (a) Hamza A, Mayer I (2001) Int J Quantum Chem 82: 53;
9. (b) Hamza A, Mayer I (2001) Int J Quantum Chem 82: 105
10. Mayer I, Vibók Á (1997) Mol Phys 92: 503
11. Vibók Á, Halász G, Mayer I (1998) Mol Phys 93: 873
12. Mayer I (1983) Int J Quantum Chem 23: 341
13. Surján PR (1989) Second quantized approach to quantum chemistry. Springer, Berlin Heidelberg New York
14. Kvasnička V, Laurinc V, Hubač I (1974) Phys Rev A 10: 2016
15. Laurinc V, Lukeś V, Biskupič S (1989) Theor Chem Acc 99: 53
16. Lukeś V, Laurinc V, Biskupič S (1999) Int J Quantum Chem 75: 81
17. Mayer I, Surján PR (1989) Int J Quantum Chem 36: 225
18. Mayer I (1996) Molec Phys 89: 515
19. Epstein ST (1974) The variation method in quantum chemistry. Academic, New York
20. HONDO-8, from MOTECC-91 (1991), contributed and documented by Dupuis M, Farazdel A, IBM Corporation Center for Scientific & Engineering Computations, Kingston, NY
21. Mayer I, Valiron P (1998) J Chem Phys 109: 3360
22. (a) Mulliken RS (1950) J Am Chem Soc 72: 600; Mulliken RS (1952) J Am Chem Soc 74: 811;
23. (a) Mulliken RS (1950) J Am Chem Soc 72: 600; Mulliken RS (1952) J Am Chem Soc 74: 811;
24. Mulliken RS (1952) J Phys Chem 56: 80