Parallelizable split-operator propagator for treating Coriolis-coupled quantum dynamics

Computer Physics Communications

Volumn 177, Issue 4, 2007, Pages 357-361

  Cvitas, Marko T ^a   Althorpe, Stuart C ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CRANK-NICHOLSON APPROXIMATION; QUANTUM DYNAMICS; QUANTUM SYSTEM; SPLIT-OPERATOR PROPAGATOR;

ANGULAR MOMENTUM; APPROXIMATION THEORY; CONVERGENCE OF NUMERICAL METHODS; KINETIC ENERGY;

QUANTUM THEORY;

EID: 34447342523     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2007.05.002     Document Type: Article

References (14)

1. Balakrishnan N., Kalyanaraman C., and Sathyamurthy N. Phys. Rep. 79 (1997) 280
2. Nyman G., and Yu H.-G. Rep. Prog. Phys. 63 (2000) 1001
3. Althorpe S.C., and Clary D.C. Annu. Rev. Phys. Chem. 54 (2003) 493
4. Zhang J.Z.H. Theory and Application of Quantum Molecular Dynamics (1999), World Scientific, Singapore
5. Tal-Ezer H., and Kosloff R. J. Chem. Phys. 81 (1984) 3967
6. Feit M.D., and Fleck J.A. J. Chem. Phys. 78 (1983) 301
7. Zhang D.H., Yang M., and Lee S.-Y. J. Chem. Phys. 116 (2002) 2388
8. Goldfield E.M., and Gray S.K. Comput. Phys. Comm. 98 (1996) 1
9. Meijer A.J.H.M., and Goldfield E.M. J. Chem. Phys. 110 (1999) 870
10. Althorpe S.C. J. Chem. Phys. 114 (2001) 1601
11. Askar A., and Cakmak A.S. J. Chem. Phys. 68 (1978) 2794
12. Press W.H., Teukolsky S.A., Vetterling W.T., and Flannery B.P. Numerical Recipes in Fortran 77. second ed. (2001), Cambridge University Press, Cambridge, UK
13. Boothroyd A.I., Keogh W.J., Martin P.G., and Peterson M.R. J. Chem. Phys. 104 (1996) 7139
14. Gonzalez-Lezana T., Rackham E.J., and Manolopoulos D.E. J. Chem. Phys. 120 (2004) 2247