The multiconfiguration time-dependent Hartree-Fock method for quantum chemical calculations

Journal of Chemical Physics

Volumn 122, Issue 12, 2005, Pages

  Nest, M ^a   Klamroth, T ^a   Saalfrank, P ^a  

^a UNIVERSITY OF POTSDAM   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

HARTREE-FOCK METHOD; MULTICONFIGURATION; QUANTUM CHEMICAL CALCULATIONS; TWO-ELECTRON INTEGRALS;

ABSORPTION SPECTROSCOPY; ELECTRONIC STRUCTURE; EQUATIONS OF MOTION; FUNCTIONS; GROUND STATE; INTEGRAL EQUATIONS; IONIZATION; MATHEMATICAL MODELS; MATHEMATICAL OPERATORS; MOLECULAR DYNAMICS; OPTIMIZATION; PROBLEM SOLVING;

QUANTUM THEORY;

EID: 17444399650     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1862243     Document Type: Article

References (20)

1. E. Runge and E. K. U. Gross, Phys. Rev. Lett. 52, 997 (1984).
2. F. Calvayrac, P.-G. Reinhard, E. Suraud, and C. A. Ullrich, Phys. Rep. 337, 493 (2000).
3. K. C. Kulander, Phys. Rev. A 36, 2726 (1987).
4. M. S. Pindzola, P. Gavras, and T. W. Gorczyca, Phys. Rev. A 51, 3999 (1995).
5. T. Klamroth, Phys. Rev. B 68, 245421 (2003).
6. D. Hegarty and M. A. Robb, Mol. Phys. 38, 1795 (1979).
7. H.-D. Meyer, U. Manthe, and L. S. Cederbaum, Chem. Phys. Lett. 165, 73 (1990).
8. M. H. Beck, A. Jäckle, G. A. Worth, and H.-D. Meyer, Phys. Rep. 324, 1 (2000).
9. M. Nest and H.-D. Meyer, J. Chem. Phys. 119, 24 (2003).
10. H.-D. Meyer and G. A. Worth, Theor. Chem. Acc. 109, 251 (2003).
11. J. Zanghellini, M. Kitzler, C. Fabian, T. Brabec, and A. Scrinzi, Laser Phys. 13, 1064 (2003).
12. T. Kato and H. Kono, Chem. Phys. Lett. 392, 533 (2004).
13. U. Manthe and F. Matzkies, Chem. Phys. Lett. 252, 71 (1996).
14. J. Olsen and P. Jorgensen, J. Chem. Phys. 82, 3235 (1985).
15. R. Grobe and J. H. Eberly, Phys. Rev. A 48, 4664 (1993).
16. E. Hairer, S. P. Norsett, and G. Wanner, Solving Ordinary Differential Equations I, 2nd ed. (Springer, Berlin, 1993).
17. J. A. Fleck, J. R. Morris, and M. D. Feit, Appl. Phys. 10, 129 (1976).
18. R. Kosloff, J. Phys. Chem. 92, 2087 (1988).
19. A. Szabo and N. S. Ostlund, Modern Quantum Chemistry (Dover, New York, 1996).
20. G. C. Schatz and M. A. Ratner, Quantum Mechanics in Chemistry (Prentice-Hall, New Jersey, 2002).