Completely renormalized EOMCCSD(T) method employing independent optimization of the cluster product terms

Chemical Physics Letters

Volumn 411, Issue 4-6, 2005, Pages 306-310

  Kowalski, Karol ^a  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HAMILTONIANS; ITERATIVE METHODS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; NUMERICAL METHODS; OPTIMIZATION; PERTURBATION TECHNIQUES; POTENTIAL ENERGY;

CLUSTER PRODUCT TERMS; MOLECULAR SYSTEMS; NUMERICAL SCALING;

EQUATIONS OF MOTION;

EID: 22944435175     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.06.024     Document Type: Article

References (29)

1. H. Monkhorst Int. J. Quantum Chem. Symp. 11 1997 421
2. E. Daalgard, and H. Monkhorst Phys. Rev. A 28 1983 1217
3. J. Geersten, M. Rittby, and R.J. Bartlett Chem. Phys. Lett. 164 1989 57
4. D.C. Comeau, and R.J. Bartlett Chem. Phys. Lett. 207 1993 414
5. J.F. Stanton, and R.J. Bartlett J. Chem. Phys. 98 1993 7029
6. K. Kowalski, and P. Piecuch Chem. Phys. Lett. 347 2001 237
7. S.A. Kucharski, M. Włoch, M. Musiał, and R.J. Bartlett J. Chem. Phys. 115 2001 8263
8. J.D. Watts, and R.J. Bartlett Chem. Phys. Lett. 233 1995 81
9. J.D. Watts, and R.J. Bartlett Chem. Phys. Lett. 258 1996 581
10. H. Koch, O. Christiansen, P. Jørgensen, and J. Olsen Chem. Phys. Lett. 244 1995 75
11. O. Christiansen, H. Koch, and P. Jørgensen J. Chem. Phys. 103 1995 7429
12. O. Christiansen, H. Koch, and P. Jørgensen J. Chem. Phys. 105 1996 1451
13. C.E. Smith, R.A. King, and T.D. Crawford J. Chem. Phys. 122 2005 054110
14. K. Kowalski, and P. Piecuch J. Chem. Phys. 115 2001 643
15. S. Hirata, M. Nooijen, I. Grabowski, and R.J. Bartlett J. Chem. Phys. 114 2001 3919
16. S. Hirata, M. Nooijen, I. Grabowski, and R.J. Bartlett J. Chem. Phys. 115 2005 054110
17. M. Nooijen, and R.J. Bartlett J. Chem. Phys. 106 1997 6441
18. M. Nooijen, and V. Lotrich J. Chem. Phys. 113 2000 494
19. K. Kowalski, and P. Piecuch J. Chem. Phys. 115 2001 2966
20. K. Kowalski, and P. Piecuch J. Chem. Phys. 116 2002 7411
21. P. Piecuch, K. Kowalski, I.S.O. Pimienta, and M.J. McGuire Int. Rev. Phys. Chem. 21 2002 527
22. K. Kowalski, and P. Piecuch J. Chem. Phys. 120 2004 1715
23. C.D. Sherrill, and P. Piecuch J. Chem. Phys. 122 2005 124104
24. M. Musiał, S.A. Kucharski, and R.J. Barteltt Adv. Quantum Chem. 47 2004 209
25. T.H. Dunning Jr. J. Chem. Phys. 90 1989 1007
26. R.A. Kendall, T.H. Dunning Jr., and R.J. Harrison J. Chem. Phys. 96 1992 6796
27. O. Christiansen, H. Koch, P. Jørgensen, and J. Olsen Chem. Phys. Lett. 256 1996 185
28. J.D. Watts, and R.J. Bartlett Spectrochim. Acta A 55 1999 495
29. A.J. Sadlej Collect. Czech. Chem. Commun. 53 1988 1995