Universal perturbative explicitly correlated basis set incompleteness correction

Journal of Chemical Physics

Volumn 131, Issue 17, 2009, Pages

  Torheyden, Martin ^a   Valeev, Edward F ^a  

^a VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; CORRELATION ENERGY; ELECTRONIC WAVE FUNCTIONS; HYDROGEN FLUORIDE; MULTI REFERENCE CONFIGURATION INTERACTIONS; MULTIREFERENCE METHODS; NITROGEN MOLECULE; REDUCED-DENSITY MATRIX; SECOND ORDERS; SECOND-ORDER ENERGIES; TWO-ELECTRON INTEGRALS;

COMPUTER CRIME; ELECTRONS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; QUANTUM THEORY; SET THEORY; SULFUR COMPOUNDS; WAVE FUNCTIONS;

ERROR CORRECTION;

EID: 70449345900     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3254836     Document Type: Article

References (27)

1. W. Klopper, F. R. Manby, S. Ten-No, and E. F. Valeev, Int. Rev. Phys. Chem. 0144-235X 25, 427 (2006). 10.1080/01442350600799921
2. E. F. Valeev, Phys. Chem. Chem. Phys. 1463-9076 10, 106 (2008). 10.1039/b713938a
3. T. B. Adler, G. Knizia, and H. -J. Werner, J. Chem. Phys. 0021-9606 127, 221106 (2007). 10.1063/1.2817618 (Pubitemid 350262191)
4. D. P. Tew, W. Klopper, C. Neiss, and C. Hattig, Phys. Chem. Chem. Phys. 1463-9076 9, 1921 (2007). 10.1039/b617230j
5. D. Bokhan, S. Bernadotte, and S. Ten-no, J. Chem. Phys. 0021-9606 469, 214 (2009).
6. R. J. Gdanitz, Chem. Phys. Lett. 0009-2614 210, 253 (1993). 10.1016/0009-2614(93)89130-A
7. S. Ten-no, Chem. Phys. Lett. 0009-2614 447, 175 (2007). 10.1016/j.cplett.2007.09.006 (Pubitemid 47500162)
8. D. Mukherjee, Chem. Phys. Lett. 0009-2614 274, 561 (1997). 10.1016/S0009-2614(97)00714-8
9. W. Kutzelnigg and D. Mukherjee, J. Chem. Phys. 0021-9606 107, 432 (1997). 10.1063/1.474405
10. W. Kutzelnigg and W. Klopper, J. Chem. Phys. 0021-9606 94, 1985 (1991). 10.1063/1.459921
11. W. Klopper and C. C. M. Samson, J. Chem. Phys. 0021-9606 116, 6397 (2002). 10.1063/1.1461814 (Pubitemid 34460115)
12. E. F. Valeev and C. L. Janssen, J. Chem. Phys. 0021-9606 121, 1214 (2004). 10.1063/1.1759319
13. M. Torheyden and E. F. Valeev, Phys. Chem. Chem. Phys. 1463-9076 10, 3410 (2008). 10.1039/b803620a
14. W. Kutzelnigg and D. Mukherjee, J. Chem. Phys. 0021-9606 110, 2800 (1999). 10.1063/1.478189
15. W. Kutzelnigg and D. Mukherjee, J. Chem. Phys. 0021-9606 120, 7350 (2004). 10.1063/1.1652490
16. S. Ten-no, J. Chem. Phys. 0021-9606 121, 117 (2004). 10.1063/1.1757439
17. E. F. Valeev, J. Chem. Phys. 0021-9606 125, 244106 (2006). 10.1063/1.2403852 (Pubitemid 46058264)
18. E. F. Valeev, Chem. Phys. Lett. 0009-2614 395, 190 (2004). 10.1016/j.cplett.2004.07.061
19. S. Kedžuch, M. Milko, and J. Noga, Int. J. Quantum Chem. 0020-7608 105, 929 (2005). 10.1002/qua.20744 (Pubitemid 43082130)
20. S. Ten-No, Chem. Phys. Lett. 0009-2614 398, 56 (2004). 10.1016/j.cplett.2004.09.041
21. A. K. Wilson, T. v. Mourik, and T. H. Dunning, J. Mol. Struct.: THEOCHEM 0166-1280 388, 339 (1997).
22. R. A. Kendall, T. H. Dunning, and R. J. Harrison, J. Chem. Phys. 0021-9606 96, 6796 (1992). 10.1063/1.462569
23. T. Helgaker, W. Klopper, H. Koch, and J. Noga, J. Chem. Phys. 0021-9606 106, 9639 (1997). 10.1063/1.473863
24. C. L. Janssen, I. B. Nielsen, M. L. Leininger, E. F. Valeev, and E. T. Seidl, The Massively Parallel Quantum Chemistry Program (MPQC): Version 3.0 (alpha) (Sandia National Laboratories, Livermore, 2009).
25. T. D. Crawford, C. D. Sherrill, E. F. Valeev, J. T. Fermann, R. A. King, M. L. Leininger, S. T. Brown, C. L. Jannssen, E. T. Seidl, J. P. Kenny, and W. D. Allen, J. Comput. Chem. 0192-8651 28, 1610 (2007). 10.1002/jcc.20573 (Pubitemid 46853799)
26. M. E. Harding, J. Vázquez, B. Ruscic, A. K. Wilson, J. Gauss, and J. F. Stanton, J. Chem. Phys. 0021-9606 128, 114111 (2008). 10.1063/1.2835612
27. T. Helgaker, P. Jørgensen, and J. Olsen, Modern Electronic Structure Theory, 1st ed. (Wiley, Chichester, 2000).