Generalized Hartree-Fock description of molecular dissociation

Journal of Chemical Theory and Computation

Volumn 7, Issue 9, 2011, Pages 2667-2674

  Jiménez Hoyos, Carlos A ^a   Henderson, Thomas M ^a   Scuseria, Gustavo E ^a  

^a RICE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 80052811816     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct200345a     Document Type: Review

References (39)

1. Ćížek, J. J. Chem. Phys. 1966, 45, 4256
2. Ćížek, J. Adv. Chem. Phys. 1969, 14, 35
3. Paldus, J.; Li, X. Z. Adv. Chem. Phys. 1999, 110, 1
4. Shavitt, I.; Bartlett, R. J. Many-Body Methods in Chemistry and Physics; Cambridge University Press: New York, 2009.
5. Tsuchimochi, T.; Scuseria, G. E. J. Chem. Phys. 2009, 131, 121102
6. Scuseria, G. E.; Tsuchimochi, T. J. Chem. Phys. 2009, 131, 164119
7. Tsuchimochi, T.; Scuseria, G. E.; Savin, A. J. Chem. Phys. 2010, 132, 024111
8. Tsuchimochi, T.; Henderson, T. M.; Scuseria, G. E. J. Chem. Phys. 2010, 133, 134108
9. Löwdin, P.-O.; Lykos, P.; Pratt, G. W. Rev. Mod. Phys. 1963, 35, 496-501
10. Fukutome, H. Int. J. Quantum Chem. 1981, 20, 955-1065
11. Bardeen, J.; Cooper, L. N.; Schrieffer, J. R. Phys. Rev. 1957, 108, 1175-1204
12. Bach, V.; Lieb, E. H.; Solovej, J. P. J. Stat. Phys. 1994, 76, 3
13. Wigner, E. P. J. Math. Phys. 1960, 1, 409
14. Stuber, J. L.; Paldus, J. Symmetry Breaking in the Independent Particle Model. In Fundamental World of Quantum Chemistry: A Tribute Volume to the Memory of Per-Olov Löwdin; Brändas, E. J.; Kryachko, E. S., Eds.; Kluwer Academic Publishers: Dordrecht, The Netherlands, 2003; Vol. 1, Chapter 4, pp 67-139.
15. Benard, M. J. Chem. Phys. 1969, 71, 2546-2556
16. Löwdin, P.-O.; Mayer, I. Adv. Quantum Chem. 1992, 24, 79-114
17. Overhauser, A. W. Phys. Rev. 1962, 128, 1437-1452
18. Thouless, D. J. Nucl. Phys. 1960, 21, 225-232
19. Ćížek, J.; Paldus, J. J. Chem. Phys. 1967, 47, 3976-3985
20. Seeger, R.; Pople, J. A. J. Chem. Phys. 1977, 66, 3045-3050
21. Blaizot, J.-P.; Ripka, G. Quantum Theory of Finite Systems; MIT Press: Cambridge, MA, 1985.
22. Scuseria, G. E.; Jiménez-Hoyos, C. A.; Henderson, T. M.; Samanta, K.; Ellis, J. K. Projected Quasiparticle Theory for Molecular Electronic Structure. http://arxiv.org/abs/1106.0956. Submitted for publication.
23. Piecuch, P.; Tobóa, R.; Paldus, J. Phys. Rev. A 1996, 54, 1210
24. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Nakatsuji, H.; Caricato, M.; Li, X.; Hratchian, H. P.; Izmaylov, A. F.; Bloino, J.; Zheng, G.; Sonnenberg, J. L.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, J. A., Jr.; Peralta, J. E.; Ogliaro, F.; Bearpark, M.; Heyd, J. J.; Brothers, E.; Kudin, K. N.; Staroverov, V. N.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Rega, N.; Millam, J. M.; Klene, M.; Knox, J. E.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Zakrzewski, V. G.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Dapprich, S.; Parandekar, P. V.; Mayhall, N. J.; Daniels, A. D.; Farkas, O.; Foresman, J. B.; Ortiz, J. V.; Cioslowski, J.;; Fox, D. J. Gaussian Development Version, Revision H.01; Gaussian, Inc.: Wallingford, CT, 2009.
25. Peralta, J. E.; Scuseria, G. E.; Frisch, M. J. Phys. Rev. B 2007, 75, 125119
26. Purvis, G. D., III; Bartlett, R. J. J. Chem. Phys. 1982, 76, 1910
27. Cullen, J. M.; Zerner, M. C. J. Chem. Phys. 1982, 77, 4088-4109
28. Scuseria, G. E.; Lee, T. J.; Schaeffer, H. F. Chem. Phys. Lett. 1986, 130, 236-239
29. Scuseria, G. E.; Schaeffer, H. F. Chem. Phys. Lett. 1988, 146, 23-31
30. Piecuch, P.; Paldus, J. Int. J. Quantum Chem. 1989, 36, 429
31. Dunning, T. H., Jr. J. Chem. Phys. 1989, 90, 1007
32. Li, X.; Paldus, J. J. Chem. Phys. 2009, 130, 084110
33. Raghavachari, K.; Trucks, G.; Pople, J. A.; Head-Gordon, M. Chem. Phys. Lett. 1989, 157, 479
34. Bacskay, G. B. Chem. Phys. 1981, 61, 385-404
35. Fukutome, H. Prog. Theor. Phys. 1975, 53, 1320-1336
36. Mestechkin, M. THEOCHEM 1988, 181, 231-236
37. Takabe, T.; Takahashi, M.; Fukutome, H. Prog. Theor. Phys. 1976, 56, 349
38. Takahashi, M.; Fukutome, H. Prog. Theor. Phys. 1978, 59, 1787
39. Igawa, A.; Fukutome, H. Prog. Theor. Phys. 1980, 64, 491