The general-model-space state-universal coupled-cluster method exemplified by the LiH molecule

Journal of Chemical Physics

Volumn 119, Issue 11, 2003, Pages 5346-5357

  Li, Xiangzhu ^a   Paldus, Josef ^a  

^a UNIVERSITY OF WATERLOO   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; ELECTRON ENERGY LEVELS; HAMILTONIANS; LITHIUM COMPOUNDS; POTENTIAL ENERGY;

COUPLED-CLUSTER (CC) METHOD;

MOLECULAR DYNAMICS;

EID: 0141887375     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1599335     Document Type: Article

References (34)

1. J. Čížek, J. Chem. Phys. 45, 4256 (1966); Adv. Chem. Phys. 14, 35 (1969); J. Čížek and J. Paldus, Int. J. Quantum Chem., Quantum Chem. Symp. 5, 359 (1971).
2. J. Čížek, J. Chem. Phys. 45, 4256 (1966); Adv. Chem. Phys. 14, 35 (1969); J. Čížek and J. Paldus, Int. J. Quantum Chem., Quantum Chem. Symp. 5, 359 (1971).
3. J. Čížek, J. Chem. Phys. 45, 4256 (1966); Adv. Chem. Phys. 14, 35 (1969); J. Čížek and J. Paldus, Int. J. Quantum Chem., Quantum Chem. Symp. 5, 359 (1971).
4. J. Paldus, J. Čížek, and I. Shavitt, Phys. Rev. A 5, 50 (1972).
5. J. Paldus, in Methods in Computational Molecular Physics, NATO ASI Series B: Physics, Vol. 293, edited by S. Wilson and G. H. F. Diercksen (Plenum, New York, 1992), pp. 99-194.
6. J. Paldus, in Relativistic and Correlation Effects in Molecules and Solids, NATO ASI Series B: Physics, Vol. 318, edited by G. L. Malli (Plenum, New York, 1994), pp. 207-282.
7. R. J. Bartlett, in Modern Electronic Structure Theory, edited by D. R. Yarkony (World Scientific, Singapore, 1995), Part I, pp. 1047-1131.
8. J. Paldus and X. Li, Adv. Chem. Phys. 110, 1 (1999).
9. J. Paldus, in Handbook of Molecular Physics and Quantum Chemistry, edited by S. Wilson (Wiley, Chichester, 2003), Vol. 2, Part 3, Chap. 19, pp. 272-313.
10. M. Nooijen and R. J. Bartlett, J. Chem. Phys. 107, 6812 (1997), and references therein.
11. H. Nakatsuji, in Computational Chemistry: Reviews of Current Trends, edited by J. Leszczynski (World Scientific, Singapore, 1997), Vol. 2, Chap. 2, pp. 62-124.
12. I. Lindgren, Int. J. Quantum Chem., Quantum Chem. Symp. 12, 33 (1978).
13. I. Lindgren and J. Morrison, Atomic Many-Body Theory (Springer, Berlin, 1982).
14. I. Lindgren and D. Mukherjee, Phys. Rep. 151, 93 (1987); D. Mukherjee and S. Pal, Adv. Quantum Chem. 20, 292 (1989).
15. I. Lindgren and D. Mukherjee, Phys. Rep. 151, 93 (1987); D. Mukherjee and S. Pal, Adv. Quantum Chem. 20, 292 (1989).
16. B. Jeziorski and J. Paldus, J. Chem. Phys. 90, 2714 (1989).
17. B. Jeziorski and H. J. Monkhorst, Phys. Rev. A 24, 1668 (1981).
18. X. Li and J. Paldus, J. Chem. Phys. 119, 5320 (2003), this issue.
19. L. Meissner, S. A. Kucharski, and R. J. Bartlett, J. Chem. Phys. 91, 6187 (1989).
20. L. Meissner and R. J. Bartlett, J. Chem. Phys. 92, 561 (1990).
21. X. Li and J. Paldus, J. Chem. Phys. 119, 5334 (2003), preceding paper.
22. J. Paldus and X. Li, J. Chem. Phys. 118, 6769 (2003).
23. X. Li and J. Paldus, J. Chem. Phys. 107, 6257 (1997).
24. X. Li and J. Paldus, J. Chem. Phys. 108, 637 (1998); 110, 2844 (1999); 113, 9966 (2000); 117, 1941 (2002); Chem. Phys. Lett. 286, 145 (1998).
25. X. Li and J. Paldus, J. Chem. Phys. 108, 637 (1998); 110, 2844 (1999); 113, 9966 (2000); 117, 1941 (2002); Chem. Phys. Lett. 286, 145 (1998).
26. X. Li and J. Paldus, J. Chem. Phys. 108, 637 (1998); 110, 2844 (1999); 113, 9966 (2000); 117, 1941 (2002); Chem. Phys. Lett. 286, 145 (1998).
27. X. Li and J. Paldus, J. Chem. Phys. 108, 637 (1998); 110, 2844 (1999); 113, 9966 (2000); 117, 1941 (2002); Chem. Phys. Lett. 286, 145 (1998).
28. X. Li and J. Paldus, J. Chem. Phys. 108, 637 (1998); 110, 2844 (1999); 113, 9966 (2000); 117, 1941 (2002); Chem. Phys. Lett. 286, 145 (1998).
29. J. Paldus and J. Planelles, Theor. Chim. Acta 89, 13 (1994).
30. J. Planelles, J. Paldus, and X. Li, Theor. Chim. Acta 89, 33 (1994); 89, 59 (1994).
31. J. Planelles, J. Paldus, and X. Li, Theor. Chim. Acta 89, 33 (1994); 89, 59 (1994).
32. S. Ben-Shlomo and U. Kaldor, J. Chem. Phys. 89, 956 (1988).
33. X. Li and J. Paldus, J. Chem. Phys. 118, 2470 (2003).
34. A. Balková, S. A. Kucharski, L. Meissner, and R. J. Bartlett, J. Chem. Phys. 95, 4311 (1991).