Improving on the resolution of the identity in linear R12 ab initio theories

Chemical Physics Letters

Volumn 395, Issue 4-6, 2004, Pages 190-195

  Valeev, Edward F ^a,b  

^a GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

^b OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATION; ACCURACY; ARTICLE; CHEMICAL PROCEDURES; ELECTRON; MATHEMATICAL ANALYSIS;

EID: 4444367231     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2004.07.061     Document Type: Article

References (21)

1. P. Wind, W. Klopper, and T. Helgaker Theor. Chim. Acta 106 2001 280 286
2. P. Wind, W. Klopper, and T. Helgaker Theor. Chim. Acta 107 2002 173 179
3. B.J. Persson, and P.R. Taylor J. Chem. Phys. 105 1996 5915
4. A.J. May, F.R. Manby, J. Chem. Phys., in press
5. W. Kutzelnigg Theor. Chim. Acta 68 1985 445
6. W. Kutzelnigg, and W. Klopper J. Chem. Phys. 94 1991 1985
7. J. Noga, W. Klopper, and W. Kutzelnigg Recent Advances in Coupled-Cluster Methods 1997 World Scientific Singapore p. 1
8. R. Röhse, W. Klopper, and W. Kutzelnigg J. Chem. Phys. 99 1993 8830 8839
9. 12-Dependent wavefunctions P.v. R. Schleyer N.L. Allinger T. Clark J. Gasteiger P.A. Kollman H.F. Schaefer III P.R. Scheiner Encyclopedia of Computational Chemistry 1998 Wiley Chichester, UK 2351 2375
10. W. Klopper Mol. Phys. 99 2001 481
11. E.F. Valeev, W.D. Allen, R. Hernandez, C.D. Sherrill, and H.F. Schaefer J. Chem. Phys. 118 2003 8594
12. R.J. Gdanitz Chem. Phys. Lett. 210 1993 253
13. W. Klopper, and C.C.M. Samson J. Chem. Phys. 116 2002 6397
14. E.F. Valeev, and C.L. Janssen J. Chem. Phys. 121 2004 1214
15. G.H. Golub, and C. Reinsch J.H. Wilkinson C. Reinsch Linear Algebra, Vol. II of Handbook for Automatic Computation 1971 Springer New York (Chapter I.10)
16. C.L. Janssen, I.B. Nielsen, M.L. Leininger, E.F. Valeev, E.T. Seidl, The Massively Parallel Quantum Chemistry Program (MPQC): Version 2.3 (α), Sandia National Laboratories, Livermore, CA, USA. Available from: 〈 http://www.mpqc.org/(2004) 〉
17. T.H. Dunning J. Chem. Phys. 90 1989 1007
18. R.A. Kendall, T.H. Dunning, and R.J. Harrison J. Chem. Phys. 96 1992 6796
19. M.O. Sinnokrot, E.F. Valeev, and C.D. Sherrill J. Am. Chem. Soc. 124 2002 10887
20. W. Klopper J. Chem. Phys. 102 1995 6168
21. A. Szabo, and N.S. Ostlund Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory 1989 McGraw-Hill New York