Variational iterative time dependent method for eigenvalues and eigenfunctions of the hamiltonian

Journal of Chemical Theory and Computation

Volumn 1, Issue 3, 2005, Pages 439-443

  Saltzer, Markus ^a   Pollak, Eli ^a  

^a WEIZMANN INSTITUTE OF SCIENCE   (Israel)

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EID: 33749494827     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct0500085     Document Type: Article

References (27)

1. Topaler, M.; Makri, N. J. Chem. Phys. 1994, 101, 7500.
2. Topaler, M.; Makri, N. J. Phys. Chem. 1996, 100, 4430.
3. Makri, N. Chem. Phys. Lett. 1992, 193, 435.
4. Stockburger, J.; Mak, C. H. J. Chem. Phys. 1999, 110, 11.
5. Stockburger, J.; Grabert, H. Phys. Rev. Lett. 2002, 88, 170407.
6. Wyatt, R. E. J. Chem. Phys. 2002, 117, 9569.
7. Babyuk, D.; Wyatt, R. E.; Frederick, J. H. J. Chem. Phys. 2003, 119, 6482.
8. Hughes, K. H.; Wyatt, R. E. J. Chem. Phys. 2004, 120, 4089.
9. Shalashilin, D. V.; Child, M. S. J. Chem. Phys. 2000, 113, 10028.
10. Shalashilin, D. V.; Child, M. S.; Clary, D. C. J. Chem. Phys. 2004, 120, 5608.
11. Burant, J. C.; Batista, V. S. J. Chem. Phys. 2002, 116, 2748.
12. Beck, M. H.; Jaeckle, A.; Worth, G. A.; Meyer, H.-D.; Kuehn, O. Phys. Rep. 2000, 324, 1.
13. Wang, H.; Thoss, M. J. Chem. Phys. 1289, 119, 2003.
14. Pollak, E.; Shao, J. J. Phys. Chem. A 2003, 107, 7112.
15. Zhang, S.; Pollak, E. Phys. Rev. Lett. 2003, 91, 190201;
16. J. Chem. Phys. 2003, 119, 11058;
17. J. Chem. Phys. 2004, 3384, 121.
18. Zhang, D.-H.; Pollak, E. Phys. Rev. Lett. 2004, 93, 140401.
19. Wall, M. R.; Neuhauser, D. J. Chem. Phys. 1995, 102, 8011.
20. Mandelshtam, V. A. Prof. Nuc. Magn. Res. Spectrosc. 2001, 38, 159.
21. Geerling, P.; De Proft, F.; Langenaeker, W. Density Functional Theory, A bridge Between Chemistry and Physics; VUB University Press: Brussels, 1999.
22. Bernu, B.; Ceperley, D. M.; Lester, W. A. J. Phys. Chem. 1990, 93, 552;
23. J. Phys. Chem. 1991, 95, 7782.
24. Roos, B. O. Adv. Chem. Phys. 1987, 69, 399.
25. A more general choice would be |Φ (t) 〉 = |Ψ〉 + αK (t) |Ψ〉. Varying the functional with respect to α shows that it is stationary for α = 1.
26. Herman, M. F.; Kluk, E. Chem. Phys. 1984, 91, 27.
27. Ankerhold, J.; Saltzer, M.; Pollak, E. J. Chem. Phys. 2002, 116, 5925.