Overview: Accurate description of low-lying electronic states and potential energy surfaces

ACS Symposium Series

Volumn 828, Issue , 2002, Pages 1-8

  Hoffmann, Mark R ^a   Dyall, Kenneth G ^b  

^a UNIVERSITY OF NORTH DAKOTA   (United States)

^b ELORET CORPORATION   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0042850812     PISSN: 00976156     EISSN: None     Source Type: Book Series    
DOI: 10.1021/bk-2002-0828.ch001     Document Type: Review

References (25)

1. Andersson, K.; Malmqvist, P.-Å; Roos, B. O. J. Chem. Phys. 1992, 96, 1218.
2. Gaussian 98; Frisch, M. J., et al.; Gaussian, Inc.: Pittsburgh, PA, 1998.
3. Koch, H; Jørgensen, P. J. Chem. Phys. 1990, 93, 3333.
4. Stanton, J. F.; Bartlett, R. J. J. Chem. Phys. 1993, 98, 7029.
5. Nooijen, M.; Bartlett, R. J. J. Chem. Phys. 1997, 106, 6441.
6. Sheppard, M. G; Freed, K. F. J. Chem. Phys. 1981, 75, 4507.
7. Hirao, K Chem. Phys. Lett. 1992, 190, 374.
8. Hoffmann, M. R. Chem. Phys. Lett. 1992, 195, 127.
9. Nakano, H J. Chem. Phys. 1993, 99, 7983.
10. Kozłowski, P. M.; Davidson, E. R. J. Chem. Phys. 1994, 100, 3672.
11. Raghavachari, K; Trucks, G. W.; Pople, J. A.; Head-Gordon, M. Chem. Phys. Lett. 1989, 157, 479.
12. Head-Gordon, M. Presented at the 10th American Conference on Theoretical Chemistry, Boulder, CO, 1999.
13. Werner, H.-J.; Knowles, P. J. J. Chem. Phys. 1988, 89, 5803.
14. Khait, Y. G.; Hoffmann, M. R. J. Chem. Phys. 1998, 108, 8317.
15. Douglas, M.; Kroll, N. M. Ann. Phys. (N.Y.) 1974, 82, 89.
16. Hess, B. A. Phys. Rev. A 1985, 32, 756; 1986, 33, 3742.
17. Hess, B. A. Phys. Rev. A 1985, 32, 756; 1986, 33, 3742.
18. Matsika, S.; Yarkony, D. R. J. Chem. Phys. 2001, 115, 2038-2050, 5066-5075.
19. Yabushita, S.; Zhang, Z. Y.; Pitzer, R. M. J. Phys. Chem. A 1999, 103, 5791.
20. Rakowitz, F, Marian, C. Chem. Phys. 1997, 225, 223.
21. Visscher, L.; Visser, O.; Aerts, P. J. C.; Merenga, H.; Nieuwpoort, W. C. Comp. Phys. Commun. 1994, 81, 120.
22. Miller, C. E.; Drouin, B. J. J. Mol. Spectrosc. 2001, 205, 128; 2001, 205, 312.
23. Miller, C. E.; Drouin, B. J. J. Mol. Spectrosc. 2001, 205, 128; 2001, 205, 312.
24. Finley, J. P; Freed, K. F. J. Chem. Phys. 1995, 102, 1306.
25. Truhlar, D. G. Molecular-Scale Modeling of Reactions and Solvation. In First International Conference on Foundations of Molecular Modeling and Simulation; Cummings, P. T.; Westmorland, P. R.; Carnahan, B, Eds.; AIChE Symposium Series Vol. 97; American Institute of Chemical Engineers: New York, 2001; pp 71-83.