Car-Parrinello molecular dynamics on excited state surfaces

Journal of Chemical Physics

Volumn 110, Issue 14, 1999, Pages 6645-6656

  Bittner, Eric R ^a   Kosov, D S ^a,b  

^a University of Houston ^*  (United States)

^b UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000024016     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.478572     Document Type: Article

References (33)

1. R. Car and M. Parrinello, Phys. Rev. Lett. 55, 2471 (1985).
2. R. Car and M. Parrinello, Simple Molecular Systems at Very High Density (Plenum, New York, 1981).
3. G. Galli and M. Parrinello, Computer Simulations in Material Science (Kluwer, Dordrecht, 1991).
4. P. Hohenberg and W. Kohn, Phys. Rev. B 136, 864 (1964).
5. M. E. Tuckerman and M. Parrinello, J. Chem. Phys. 101, 1302 (1994).
6. M. E. Tuckerman and M. Parrinello, J. Chem. Phys. 101, 1316 (1994).
7. W. Kohn and L. J. Sham, Phys. Rev. A 140, 1133 (1965).
8. M. Pearson, E. Smatgiasi, and P. Madden, J. Phys.: Condens. Matter 5, 3221 (1993).
9. A. Alavi, J. Kohanoff, M. Parrinello, and D. Frenkel, Phys. Rev. Lett. 73, 2599 (1994).
10. P. L. Silvestrelli, A. Alavi, M. Parrinello, and D. Frenkel, Phys. Rev. Lett. 77, 3149 (1996).
11. A. Messiah, Quantum Mechanics (Wiley, New York, 1968).
12. H. Goldstein, Classical Mechanics (Addison-Wesley, Reading, 1980).
13. J. W. Negele and H. Orland, Quantum Many-Particle Systems (Addison-Wesley, Redwood City, 1988).
14. D. J. Rowe, Nuclear Collective Motion (Methuen, London, 1970).
15. J. Blaizot and G. Ripka, Quantum Theory of Finite Systems (MIT Press, Cambridge, MA, 1988).
16. A. K. Kerman and S. E. Koonin, Ann. Phys. 100, 332 (1976).
17. M. Petersilka, U. L. Grossmann, and E. K. U. Gross, Phys. Rev. Lett. 76, 1212 (1996).
18. R. Bauernschmitt and R. Ahlrichs, Chem. Phys. Lett. 256, 454 (1996).
19. K. Yabana and G. F. Bertsch, Preprint LANL physics/9808015.
20. D. L. Yeager and V. McKoy, J. Chem. Phys. 63, 4861 (1975).
21. A. C. Lasaga and M. Karplus, J. Chem. Phys. 71, 1218 (1979).
22. H. Ito, H. Kameshima, and T.-i. Shibuya, J. Chem. Phys. 104, 1309 (1996).
23. M. Baldo and R. Pucci, J. Chem. Phys. 67, 4747 (1977).
24. J. Olsen and P. Jorgensen, J. Chem. Phys. 82, 3235 (1985).
25. P. Ring and P. Schuck, The Nuclear Many-Body Problem (Springer, New York, 1979).
26. J. V. Ortiz, J. Chem. Phys. 101, 6743 (1994).
27. H. J. Lipkin, N. Meshkov, and A. J. Glick, Nucl. Phys. 62, 188 (1965).
28. D. S. Kosov and E. R. Bittner (in preparation).
29. A. J. Heeger, S. Kivelson, J. R. Schrieffer, and W.-P. Su, Rev. Mod. Phys. 60, 781 (1988).
30. L. Verlet, Phys. Rev. 159, 98 (1967);
31. L. Verlet, Phys. Rev. 165, 201 (1968).
32. H. Hellmann, Einführung in die Quantenchemie (Deuticke, Leipzig, 1937).
33. R. P. Feynman, Phys. Rev. 56, 340 (1939).