High algebraic order explicit methods with reduced phase-lag for an efficient solution of the schrödinger equation

International Journal of Quantum Chemistry

Volumn 73, Issue 6, 1999, Pages 479-496

  Simos, T E ^a,b  

^a DEMOCRITUS UNIVERSITY OF THRACE   (Greece)

^b NONE   (Greece)

Author keywords

Coupled differential equations; Finite differences; Phase lag; Scattering problems; Schr dinger equation

Indexed keywords

EID: 0010190717     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1999)73:6<479::AID-QUA3>3.0.CO;2-A     Document Type: Article

References (30)

1. Cooley, J. W. Math Comput 1961, 15, 363-379.
2. Blatt, J. M. J Comput Phys 1967, 1, 382-396.
3. Herzberg, G. Spectra of Diatomic Molecules; Van Nostrand: Toronto, 1950.
4. Simos, T. E.; Tougelidis, G. Comput Chem 1996, 20, 397-401.
5. Simos, T. E. Appl Math Comput 1992, 49, 261-268.
6. Simos, T. E. J Comput Appl Math 1992, 39, 89-94.
7. Simos, T. E. Int J Quant Chem 1997, 62, 467-475.
8. Hajj, F. Y.; Kobeissim, H.; Nassif, N. J Comput Phys 1974, 16, 150-159.
9. Cash, J. R.; Raptis, A. D. Comput Phys Commun 1984, 33, 299-304.
10. Raptis, A. D.; Cash, J. R. Comput Phys Commun 1985, 36, 113-119.
11. Simos, T. E. Numerical Solution of Ordinary Differential Equations with Periodical Solutions; PhD. Dissertation, National Technical University of Athens, 1990.
12. Allison, A. C. J Comput Phys 1970, 6, 378-391.
13. Bernstein, R. B.; Dalgarno, A.; Massey, H.; Percival, I. C. Proc Roy Soc Ser A 1963, 274, 427-442.
14. Bernstein, R. B. J Chem Phys 1960, 33, 795-804.
15. Barnes, L. L.; Lane, N. F.; Lin, C. C. Physical Review A 1965, 137, 388-391.
16. Simos, T. E. Int J Quant Chem 1998, 68, 191-200.
17. Simos, T. E. Int J Mod Phys C 1998, 9, 271-288.
18. Simos, T. E.; Tougelidis, Int J Quant Chem 1996, 59, 477-485.
19. Simos, T. E. Int J Quant Chem 1995, 53, 473-483.
20. Brusa, L.; Nigro, L. Int J Numer Meth Engrg 1980, 15, 685-699.
21. Chawla, M. M.; Rao, P. S. J Comput Appl Math 1986, 15, 329-337.
22. Chawla, M. M.; Rao, P. S. J Comput Appl Math 1987, 17, 365-368.
23. Chawla, M. M.; Rao, P. S. J Comput Appl Math 1984, 11, 277-281.
24. Coleman, J. P. IMA J Numer Anal 1989, 9, 145-165.
25. van der Houwen, P. J.; Sommeijer, B. P. SIAM J Numer Anal 1987, 24, 595-617.
26. Thomas, R. M. BIT 1984, 24, 225-278.
27. Lambert, J. D.; Watson, I. A. J Inst Math Applic 1976, 18, 189-202.
28. Raptis, A. D.; Simos, T. E. BIT 1991, 31, 160-168.
29. Shampine, L. F.; Watts, H. A.; Davenport, S. M. SIAM Rev 1976, 18, 376-411.
30. Hairer, E.; Norset, S. P.; Wanner, G. Solving Ordinary Differential Equations I; Springer: Berlin, 1987.