Couple-cluster connected-quadruples corrections to atomization energies

Chemical Physics Letters

Volumn 371, Issue 1-2, 2003, Pages 62-67

  Ruden, Torgeir A ^a   Helgaker, Trygve ^a   Jørgensen, Poul ^b   Olsen, Jeppe ^b  

^a UNIVERSITY OF OSLO   (Norway)

^b AARHUS UNIVERSITY   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0037470658     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(03)00225-2     Document Type: Article

References (34)

1. K.L. Bak, A. Halkier, P. Jørgensen, J. Olsen, T. Helgaker, W. Klopper, J. Mol. Struct. 567-568 (2001) 375.
2. T. Helgaker, P. Jørgensen, J. Olsen, Molecular Electronic-Structure Theory, Wiley, Chichester, 2000.
3. D.J. Feller, J. Chem. Phys. 96 (1992) 6104.
4. D.J. Feller, J. Chem. Phys. 96 (1993) 7059.
5. K.A. Peterson, D.E. Woon, T.H. Dunning Jr., J. Chem. Phys. 100 (1994) 7410.
6. J.M.L. Martin, Chem. Phys. Lett. 259 (1996) 669.
7. A. Halkier, T. Helgaker, P. Jørgensen, W. Klopper, J. Olsen, Chem. Phys. Lett. 286 (1998) 243.
8. T. Helgaker, W. Klopper, H. Koch, J. Noga, J. Chem. Phys. 106 (1997) 9639.
9. K.L. Bak, P. Jørgensen, J. Olsen, T. Helgaker,W. Klopper, J. Chem. Phys. 112 (2000) 9229.
10. K.L. Bak, P. Jørgensen, J. Olsen, T. Helgaker, J. Gauss, Chem. Phys. Lett. 317 (2000) 116.
11. G.D. Purvis, R.J. Bartlett, J. Chem. Phys. 76 (1982) 1910.
12. K. Raghavachari, G.W. Trucks, M. Head-Gordon, J.A. Pople, Chem. Phys. Lett. 157 (1989) 479.
13. J. Noga, R.J. Bartlett, J. Chem. Phys. 86 (1987) 7041.
14. G.E. Scuseria, H.F. Schaefer, Chem. Phys. Lett. 152 (1988) 382.
15. D. Feller, J. Sordo, J. Chem. Phys. 113 (2000) 485.
16. T. Helgaker, W. Klopper, A. Halkier, K.L. Bak, P. Jørgensen, J. Olsen, in: J. Cioslowski (Ed.), Understanding Chemical Reactivity, vol. 22, Kluwer, Dordrecht, 2001, p. 1.
17. D. Feller, J. Chem. Phys. 111 (1999) 4373.
18. T.H. Dunning Jr., J. Chem. Phys. 90 (1989) 1007.
19. T. Helgaker, J. Gauss, P. Jørgensen, J. Olsen, J. Chem. Phys. 106 (1997) 6430.
20. D.E. Woon, T.H. Dunning Jr., J. Chem. Phys. 103 (1995) 4572.
21. LUCIA, a general CI and CC code, written by J. Olsen University of Aarhus with contributions from H. Larsen and M. Fülscher.
22. T. Helgaker, H.J.A. Jensen, P. Jørgensen, J. Olsen, K. Ruud, H. Aagren, A.A. Auer, K.L. Bak, V. Bakken, O. Christiansen, et al., DALTON, an ab initio electronic structure program, Release 1.2. See http://www.kjemi.uio.-no/software/dalton/dalton.html, 2001.
23. J.F. Stanton, J. Gauss, J.D. Watts, W.J. Lauderdale, R.J. Bartlett, ACESII, an ab initio program system.
24. J.F. Stanton, J. Gauss, J.D. Watts, W.J. Lauderdale, R.J. Bartlett, Int. J. Quantum Chem.: Quantum Chem. Symp. 26 (1992) 879.
25. J. Olsen, to be published.
26. J. Olsen, J. Chem. Phys. 113 (2000) 7140.
27. J.M.L. Martin, P.R. Taylor, J. Chem. Phys. 106 (1997) 8620.
28. J. Olsen, P. Jørgensen, T. Helgaker, to be published.
29. J. Olsen, to be published.
30. M.W. Chase Jr., C.A. Davies, J.R. Downey Jr., D.J. Frirup, R.A. Mc-Donald, A.N. Syverud, J. Phys. Chem. Ref. Data Monogr. 4 (1998) 9, JANAF Thermochemical Tables, third ed.
31. K.P. Huber, G. Herzberg, Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules, Van Nostrand Reinhold, New York, 1979.
32. K.E. McCulloh, V.H. Dibeler, J. Chem. Phys. 64 (1976) 4445.
33. P. Jensen, P.R. Bunker, J. Chem. Phys. 89 (1988) 1327.
34. C.C. Hayden, D.M. Neumark, K. Shobatake, R.K. Sparks, Y.T. Lee, J. Chem. Phys. 76 (1982) 3607.