The MP2 energy as a functional of the Hartree-Fock density matrix

Chemical Physics Letters

Volumn 406, Issue 4-6, 2005, Pages 318-320

  Surján, Péter R ^a  

^a EÖTVÖS LORÁND UNIVERSITY   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; HOLE MOBILITY; LAPLACE TRANSFORMS; MATHEMATICAL TRANSFORMATIONS; MATRIX ALGEBRA; PERTURBATION TECHNIQUES;

ATOMIC ORBITAL (AO); ENERGY-WEIGHTED DENSITY MATRICES (EWDM); LINEAR SCALING METHODS; MOLECULAR ORBITALS;

MOLECULAR DYNAMICS;

EID: 16644362781     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.03.024     Document Type: Article

References (27)

1. J. Almlöf Chem. Phys. Lett. 176 1991 319
2. M. Häser, and J. Almlöf J. Chem. Phys. 96 1992 489
3. M. Häser Theor. Chim. Acta 87 1993 147
4. A.K. Wilson, and J. Almlöf Theor. Chim. Acta 95 1997 49
5. P.Y. Ayala, and G.E. Scuseria J. Chem. Phys. 110 1999 3660
6. P.Y. Ayala, K.N. Kudin, and G.E. Scuseria J. Chem. Phys. 115 2001 9698
7. P. Pulay, and S. Saebø Theor. Chim. Acta 69 1986 357
8. S. Saebø, and P. Pulay J. Chem. Phys. 86 1987 914
9. P.E. Malsen, and M. Head-Gordon Chem. Phys. Lett. 283 1998 102
10. M. Schütz, G. Hetzer, and H.-J. Werner J. Chem. Phys. 111 1999 5691
11. G.E. Scuseria, and P.Y. Ayala J. Chem. Phys. 111 1999 8330
12. R. Ahlrichs, S. Elliot, U. Huniar, Ab initio Treatment of Large Molecules, in: J. Grotendorst (Ed.), Modern Methods and Algorithms of Quantum Chemistry, second edn., vol. 3, John von Neumann Institute for Computing, NIC Series, Jülich, 2000, p. 7
13. R. Reidinger, and M. Benard J. Chem. Phys. 94 1991 1222
14. M. Challacombe J. Chem. Phys. 110 1999 2332
15. K. Nemeth, and G.E. Scuseria J. Chem. Phys. 113 2000 6035
16. X.P. Li, R.W. Nunes, and D. Vanderbilt Phys. Rev. B 47 1993 10891
17. S. Goedecker Rev. Mod. Phys. 71 1999 1085
18. S.Y. Wu, and C.S. Jayanthi Phys. Rep. 358 2002 1
19. H. Nakatsuji Phys. Rev. A 14 1976 41
20. K. Yasuda, and H. Nakatsuji Phys. Rev. A 56 1997 2648
21. H. Nakatsuji, and K. Yasuda Phys. Rev. Lett. 76 1996 1039
22. F. Colmenero, C.P. del Valle, and C. Valdemoro Phys. Rev. A 47 1993 971
23. F. Colmenero, and C. Valdemoro Phys. Rev. A 47 1993 979
24. D. Mazziotti Phys. Rev. A 57 1998 4219
25. D. Mazziotti Int. J. Quantum Chem. 70 1998 557
26. D. Mazziotti Phys. Rev. A 60 1998 3618
27. C. Valdemoro, L.M. Tel, and E. Perez-Romero Adv. Quantum Chem. 28 1997 33