An efficient way to include connected quadruple contributions into the coupled cluster method

Journal of Chemical Physics

Volumn 108, Issue 22, 1998, Pages 9221-9226

  Kucharski, Stanisław A ^a,b   Bartlett, Rodney J ^a  

^a UNIVERSITY OF FLORIDA   (United States)

^b UNIVERSITY OF SILESIA   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001610802     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.476376     Document Type: Article

References (44)

1. J. Čížek, J. Chem. Phys. 45, 4256 (1966); Adv. Chem. Phys. 14, 15 (1969); J. Paldus, J. Čížek, and I. Shavitt, Phys. Rev. A 5, 50 (1974). These authors use CPMET to refer to CCD and ECPMET once additions to CCD are made.
2. J. Čížek, J. Chem. Phys. 45, 4256 (1966); Adv. Chem. Phys. 14, 15 (1969); J. Paldus, J. Čížek, and I. Shavitt, Phys. Rev. A 5, 50 (1974). These authors use CPMET to refer to CCD and ECPMET once additions to CCD are made.
3. J. Čížek, J. Chem. Phys. 45, 4256 (1966); Adv. Chem. Phys. 14, 15 (1969); J. Paldus, J. Čížek, and I. Shavitt, Phys. Rev. A 5, 50 (1974). These authors use CPMET to refer to CCD and ECPMET once additions to CCD are made.
4. R. J. Bartlett Annu. Rev. Phys. Chem. 32, 359 (1981). Includes the early references to CC theory and its CEPA-like approximations.
5. For reviews see, R. J. Bartlett, J. Phys. Chem. 93, 1697 (1989); R. J. Bartlett, in Modern Electronic Structure Theory, Part 1, edited by D. R. Yarkony (World Scientific, New York, 1995), pp. 1047-1131; R. J. Bartlett and J. F. Stanton, in Reviews in Computational Chemistry, Vol. 5, edited by K. B. Lipkowitz and D. B. Boyd (VCH Publishers, New York, 1994), pp. 65-169; M. Urban, I. Cernusak, V. Kello and J. Noga, in Methods in Computational Chemistry 1, edited by S. Wilson (Plenum, New York, 1987), p. 117; J. Paldus, in Methods in Computational Molecular Physics (NATO ASI, 1991).
6. For reviews see, R. J. Bartlett, J. Phys. Chem. 93, 1697 (1989); R. J. Bartlett, in Modern Electronic Structure Theory, Part 1, edited by D. R. Yarkony (World Scientific, New York, 1995), pp. 1047-1131; R. J. Bartlett and J. F. Stanton, in Reviews in Computational Chemistry, Vol. 5, edited by K. B. Lipkowitz and D. B. Boyd (VCH Publishers, New York, 1994), pp. 65-169; M. Urban, I. Cernusak, V. Kello and J. Noga, in Methods in Computational Chemistry 1, edited by S. Wilson (Plenum, New York, 1987), p. 117; J. Paldus, in Methods in Computational Molecular Physics (NATO ASI, 1991).
7. For reviews see, R. J. Bartlett, J. Phys. Chem. 93, 1697 (1989); R. J. Bartlett, in Modern Electronic Structure Theory, Part 1, edited by D. R. Yarkony (World Scientific, New York, 1995), pp. 1047-1131; R. J. Bartlett and J. F. Stanton, in Reviews in Computational Chemistry, Vol. 5, edited by K. B. Lipkowitz and D. B. Boyd (VCH Publishers, New York, 1994), pp. 65-169; M. Urban, I. Cernusak, V. Kello and J. Noga, in Methods in Computational Chemistry 1, edited by S. Wilson (Plenum, New York, 1987), p. 117; J. Paldus, in Methods in Computational Molecular Physics (NATO ASI, 1991).
8. For reviews see, R. J. Bartlett, J. Phys. Chem. 93, 1697 (1989); R. J. Bartlett, in Modern Electronic Structure Theory, Part 1, edited by D. R. Yarkony (World Scientific, New York, 1995), pp. 1047-1131; R. J. Bartlett and J. F. Stanton, in Reviews in Computational Chemistry, Vol. 5, edited by K. B. Lipkowitz and D. B. Boyd (VCH Publishers, New York, 1994), pp. 65-169; M. Urban, I. Cernusak, V. Kello and J. Noga, in Methods in Computational Chemistry 1, edited by S. Wilson (Plenum, New York, 1987), p. 117; J. Paldus, in Methods in Computational Molecular Physics (NATO ASI, 1991).
9. For reviews see, R. J. Bartlett, J. Phys. Chem. 93, 1697 (1989); R. J. Bartlett, in Modern Electronic Structure Theory, Part 1, edited by D. R. Yarkony (World Scientific, New York, 1995), pp. 1047-1131; R. J. Bartlett and J. F. Stanton, in Reviews in Computational Chemistry, Vol. 5, edited by K. B. Lipkowitz and D. B. Boyd (VCH Publishers, New York, 1994), pp. 65-169; M. Urban, I. Cernusak, V. Kello and J. Noga, in Methods in Computational Chemistry 1, edited by S. Wilson (Plenum, New York, 1987), p. 117; J. Paldus, in Methods in Computational Molecular Physics (NATO ASI, 1991).
10. R. J. Bartlett and G. D. Purvis III, Int. J. Quantum Chem., Quantum Chem. Symp. 14, 561 (1978); Phys. Scr. 21, 255 (1980).
11. R. J. Bartlett and G. D. Purvis III, Int. J. Quantum Chem., Quantum Chem. Symp. 14, 561 (1978); Phys. Scr. 21, 255 (1980).
12. J. A. Pople, R. Krishnan, H. B. Schlegel, and J. S. Binkley, Int. J. Quantum Chem., Quantum Chem. Symp. 14, 545 (1978).
13. G. D. Purvis III and R. J. Bartlett, J. Chem. Phys. 76, 1910 (1982).
14. J. Noga and R. J. Bartlett, J. Chem. Phys. 86, 7041 (1987); 89, 3401 (1988).
15. J. Noga and R. J. Bartlett, J. Chem. Phys. 86, 7041 (1987); 89, 3401 (1988).
16. G. Scuseria and H. F. Schafer III. Chem. Phys. Lett. 152, 382 (1988).
17. J. D. Watts and R. J. Bartlett, J. Chem. Phys. 93, 6104 (1989).
18. S. A. Kucharski and R. J. Bartlett, J. Chem. Phys. 97, 4282 (1992).
19. Y. S. Lee, S. A. Kucharski, and R. J. Bartlett, J. Chem. Phys. 81, 5906 (1984).
20. S. A. Kucharski and R. J. Bartlett, Chem. Phys. Lett. 158, 550 (1989).
21. M. Urban, J. Noga, S. J. Cole, and R. J. Bartlett, J. Chem. Phys. 83, 4041 (1986); J. Noga, R. J. Bartlett, and M. Urban, Chem. Phys. Lett. 134, 126 (1987); CCSD[T] was originally termed CCSD+T(CCSD).
22. M. Urban, J. Noga, S. J. Cole, and R. J. Bartlett, J. Chem. Phys. 83, 4041 (1986); J. Noga, R. J. Bartlett, and M. Urban, Chem. Phys. Lett. 134, 126 (1987); CCSD[T] was originally termed CCSD+T(CCSD).
23. K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 157, 479 (1989).
24. J. D. Watts and R. J. Bartlett, J. Chem. Phys. 108, 2511 (1998).
25. P. Piecuch, R. Tobola, and J. Paldus, Phys. Rev. A 54, 1210 (1996).
26. J. Paldus, J. Cizek, and M. Takahashi, Phys. Rev. A 30, 2193 (1984).
27. G. Peris, J. Planelles, and J. Paldus, Int. J. Quantum Chem. 62, 137 (1997); X. Li, G. Peris, J. Planelles, F. Rajadall, and J. Paldus, J. Chem. Phys. 107, 90 (1997).
28. G. Peris, J. Planelles, and J. Paldus, Int. J. Quantum Chem. 62, 137 (1997); X. Li, G. Peris, J. Planelles, F. Rajadall, and J. Paldus, J. Chem. Phys. 107, 90 (1997).
29. S. A. Kucharski and R. J. Bartlett, Adv. Quantum Chem. 18, 281 (1986); S. A. Kucharski, J. Noga, and R. J. Bartlett, J. Chem. Phys. 90, 7282 (1989).
30. S. A. Kucharski and R. J. Bartlett, Adv. Quantum Chem. 18, 281 (1986); S. A. Kucharski, J. Noga, and R. J. Bartlett, J. Chem. Phys. 90, 7282 (1989).
31. R. J. Bartlett and J. Noga, Chem. Phys. Lett. 150, 29 (1988); R. J. Bartlett, S. A. Kucharski, J. Noga, J. D. Watts, and G. W. Trucks, Lecture Notes in Chemistry (Springer, Berlin, 1989), Vol. 52, p. 125; R. J. Bartlett, S. A. Kucharski, and J. Noga, Chem. Phys. Lett. 155, 133 (1989).
32. R. J. Bartlett and J. Noga, Chem. Phys. Lett. 150, 29 (1988); R. J. Bartlett, S. A. Kucharski, J. Noga, J. D. Watts, and G. W. Trucks, Lecture Notes in Chemistry (Springer, Berlin, 1989), Vol. 52, p. 125; R. J. Bartlett, S. A. Kucharski, and J. Noga, Chem. Phys. Lett. 155, 133 (1989).
33. R. J. Bartlett and J. Noga, Chem. Phys. Lett. 150, 29 (1988); R. J. Bartlett, S. A. Kucharski, J. Noga, J. D. Watts, and G. W. Trucks, Lecture Notes in Chemistry (Springer, Berlin, 1989), Vol. 52, p. 125; R. J. Bartlett, S. A. Kucharski, and J. Noga, Chem. Phys. Lett. 155, 133 (1989).
34. B. Jeziorski and H. J. Monkhorst, Phys. Rev. A 24, 1668 (1981).
35. J. Almlof, Chem. Phys. Lett. 181, 319 (1991).
36. R. J. Bartlett, J. D. Watts, S. A. Kucharski, and J. Noga, Chem. Phys. Lett. 165, 513 (1990).
37. C. W. Bauschlicher, Jr. and P. R. Taylor, J. Chem. Phys. 86, 1420 (1987).
38. P. Saxe, H. F. Schaefer III, and N. C. Handy, Chem. Phys. Lett. 79, 202 (1981).
39. C. W. Bauschlicher, Jr. and P. R. Taylor, J. Chem. Phys. 85, 2779 (1986).
40. C. W. Bauschlicher and P. R. Taylor, J. Chem. Phys. 86, 1420 (1987).
41. O. Christiansen, H. Koch, P. Joergensen, and J. Olsen, Chem. Phys. Lett. 256, 185 (1996).
42. K. P. Huber and G. Herzberg, Molecular Spectra and Molecular Structure, IV. Constants for Diatomic Molecules (Van Nostrand Reinhold, New York, 1979).
43. D. L. Albritton, A. L. Schmeltekopf, and R. N. Zare, J. Chem. Phys. 71, 3271 (1979).
44. S. E. Bradforth, E. H. Kim, D. W. Arnold, and D. M. Neumark, J. Chem. Phys. 98, 800 (1993).