Explicitly correlated connected triple excitations in coupled-cluster theory

Journal of Chemical Physics

Volumn 130, Issue 13, 2009, Pages

  Köhn, Andreas ^a  

^a JOHANNES GUTENBERG UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AUTOMATED GENERATIONS; BASIS SETS; CCSD; COUPLED-CLUSTER SINGLES AND DOUBLES; COUPLED-CLUSTER THEORIES; EXPLICIT EXPRESSIONS; NON-ITERATIVE; TRIPLE EXCITATIONS;

EID: 64549093307     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3116792     Document Type: Article

References (29)

1. W. Kutzelnigg and W. Klopper, J. Chem. Phys. 0021-9606 94, 1985 (1991). 10.1063/1.459921
2. W. Klopper, F. R. Manby, S. Ten-no, and E. F. Valeev, Int. Rev. Phys. Chem. 0144-235X 25, 427 (2006). 10.1080/01442350600799921
3. S. Ten-no, Chem. Phys. Lett. 0009-2614 398, 56 (2004). 10.1016/j.cplett.2004.09.041
4. D. P. Tew and W. Klopper, J. Chem. Phys. 0021-9606 123, 074101 (2005). 10.1063/1.1999632
5. E. F. Valeev and T. D. Crawford, J. Chem. Phys. 0021-9606 128, 244113 (2008). 10.1063/1.2939577
6. G. Knizia, T. B. Adler, and H. -J. Werner, J. Chem. Phys. 0021-9606 130, 054104 (2009). 10.1063/1.3054300
7. T. Shiozaki, M. Kamiya, S. Hirata, and E. F. Valeev, J. Chem. Phys. 0021-9606 130, 054101 (2009). 10.1063/1.3068302
8. W. Klopper, B. Ruscic, D. P. Tew, F. A. Bischoff, and S. Wolfsegger, Chem. Phys. 0301-0104 356, 14 (2009). 10.1016/j.chemphys.2008.11.013
9. D. P. Tew, W. M. Klopper, C. Neiss, and C. Hättig, Phys. Chem. Chem. Phys. 1463-9076 9, 1921 (2007). 10.1039/b617230j
10. D. P. Tew, W. M. Klopper, and C. Hättig, Chem. Phys. Lett. 0009-2614 452, 326 (2008). 10.1016/j.cplett.2007.12.070
11. D. Bokhan, S. Bernadotte, and S. Ten-no, Chem. Phys. Lett. 0009-2614 469, 214 (2009). 10.1016/j.cplett.2008.12.054
12. K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 0009-2614 157, 479 (1989). 10.1016/S0009-2614(89)87395-6
13. J. D. Watts, J. Gauss, and R. J. Bartlett, J. Chem. Phys. 0021-9606 98, 8718 (1993). 10.1063/1.464480
14. S. Ten-no, J. Chem. Phys. 0021-9606 121, 117 (2004). 10.1063/1.1757439
15. A. Köhn, J. Chem. Phys. 0021-9606 130, 104104 (2009). 10.1063/1.3079543
16. M. Urban, J. Noga, S. J. Cole, and R. J. Bartlett, J. Chem. Phys. 0021-9606 83, 4041 (1985). 10.1063/1.449067
17. A. Köhn, G. W. Richings, and D. P. Tew, J. Chem. Phys. 0021-9606 129, 201103 (2008). 10.1063/1.3028546
18. J. Noga and W. Kutzelnigg, J. Chem. Phys. 0021-9606 101, 7738 (1994). 10.1063/1.468266
19. H. J. Werner, T. B. Adler, and F. R. Manby, J. Chem. Phys. 0021-9606 126, 164102 (2007). 10.1063/1.2712434
20. W. Klopper, J. Chem. Phys. 0021-9606 120, 10890 (2004). 10.1063/1.1742904
21. T. Helgaker, H. J. A. Jensen, P. Jørgensen, J. Olsen, K. Ruud, H. Ågren, A. A. Auer, K. L. Bak, V. Bakken, O. Christiansen, DALTON, release 2.0, an electronic structure program, 2005, see http://www.kjemi.uio.no/ software/dalton/dalton.html.
22. D. P. Tew and W. Klopper, J. Chem. Phys. 0021-9606 125, 094302 (2006). 10.1063/1.2338037
23. H. Fliegl, W. M. Klopper, and C. Hättig, J. Chem. Phys. 0021-9606 122, 084107 (2005). 10.1063/1.1850094
24. E. F. Valeev, Chem. Phys. Lett. 0009-2614 395, 190 (2004). 10.1016/j.cplett.2004.07.061
25. S. Kedžuch, M. Milko, and J. Noga, Int. J. Quantum Chem. 0020-7608 105, 929 (2005). 10.1002/qua.20744
26. J. F. Stanton, J. Gauss, M. E. Harding, and P. G. Szalay, CFOUR, a quantum chemical program package. For the current version, see http://www.cfour.de.
27. T. H. Dunning, J. Chem. Phys. 0021-9606 90, 1007 (1989). 10.1063/1.456153
28. D. E. Woon and T. H. Dunning, J. Chem. Phys. 0021-9606 100, 2975 (1994). 10.1063/1.466439
29. A. Halkier, T. Helgaker, P. Jørgensen, W. Klopper, H. Koch, J. Olsen, and A. K. Wilson, Chem. Phys. Lett. 0009-2614 286, 243 (1998). 10.1016/S0009-2614(98)00111-0