Semi-classical formulation of time-dependent discrete variable representation method

International Journal of Quantum Chemistry

Volumn 98, Issue 5, 2004, Pages 434-446

  Puzari, Panchanan ^a   Adhikari, Satrajit ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY GUWAHATI   (India)

Author keywords

Fixed width approach; Gauss Hermite basis; Gaussian wave packet (GWP); Semi classical; Time dependent discrete variable representation (TDDVR); Tunneling

Indexed keywords

APPROXIMATION THEORY; ELECTRON TUNNELING; FUNCTIONS; KINETIC ENERGY; MOLECULAR DYNAMICS; PARAMETER ESTIMATION; POTENTIAL ENERGY; PROBABILITY;

ECKART BARRIER; GAUSSIAN WAVE PACKETS (GWP); QUANTUM FORCES (QF); WAVE FUNCTIONS;

QUANTUM THEORY;

EID: 2942585425     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20095     Document Type: Article

References (23)

1. Lill, J. V.; Parker, G. A.; Light, J. C. Chem Phys Lett 1982, 89, 483.
2. Heather, R. W.; Light, J. C. J Chem Phys 1983, 79, 147.
3. Lill, J. V. In PhD thesis; University of Chicago: Chicago, 1982.
4. Light, J. C.; Hamilton, I. P.; Lill, J. V. J Chem Phys 1985, 82, 1400.
5. Bačić, Z.; Light, J. C. Annu Rev Phys Chem 1989, 40, 469.
6. Kosloff, D.; Kosloff, R. J Comput Phys 1983, 52, 35.
7. Adhikari, S.; Billing, G. D. J Chem Phys 2000, 113, 1409.
8. Billing, G. D.; Adhikari, S. Chem Phys Lett 2000, 321, 197.
9. Barkakaty, B.; Adhikari, S. J Chem Phys 2003, 118, 5302.
10. Adhikari, S.; Billing, G. D. Chem Phys 1998, 238, 69.
11. Adhikari, S.; Billing, G. D. Chem Phys Lett 1999, 305, 109.
12. Adhikari, S.; Billing, G. D. J Chem Phys 1999, 111, 48.
13. Billing, G. D. Encyclopedia of Computational Chemistry; Schaefer, H. P. Ed.; John Wiley: New York, 1998.
14. Meyer, H.-D. Chem Phys 1981, 61, 365.
15. Coalson, R. D.; Karplus, M. Chem Phys Lett 1982, 90, 301.
16. Møller, K. B.; Henriksen, N. E. J Chem Phys 1996, 105, 5037.
17. Lee, S-Y.; Heller, E. J. J Chem Phys 1982, 76, 3035.
18. Kucar, J.; Meyer, H.-D. J Chem Phys 1989, 90, 5566.
19. Tannor, D. J.; Besprozvannaya, A.; Williams, C. J. J Chem Phys 1992, 96, 2998.
20. Dirac, P. A. M. Proc Cambridge Philos Soc 1930, 26, 376.
21. Adhikari, S.; Billing, G. D. Chem Phys Lett 1999, 309, 249.
22. Billing, G. D.; Mikkelsen, K. V. Advanced Molecular Dynamics and Chemical Kinetics; John Wiley: New York, 1997.
23. Billing, G. D. J Chem Phys 1997, 107, 4286.