Quantum-classical path integral. II. Numerical methodology

Journal of Chemical Physics

Volumn 137, Issue 22, 2012, Pages

  Lambert, Roberto ^a   Makri, Nancy ^a,b  

^a University of Illinois at Urbana Champaign   (United States)

^b UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CLASSICAL TRAJECTORIES; CUMULATIVE PROBABILITIES; DECOHERENCE TIME; DENSITY MATRIX; ITERATIVE SCHEMES; NONLOCAL; NUMERICAL METHODOLOGIES; PATH INTEGRAL; POLYATOMICS; QUANTUM EFFECTS; QUANTUM MECHANICAL CORRECTION; QUANTUM MEMORIES; QUANTUM STATE; QUANTUM-CLASSICAL; SOLVENT REORGANIZATION ENERGY; TIME INTERVAL; TWO-LEVEL SYSTEM;

DYNAMICS; QUANTUM ELECTRONICS; QUANTUM OPTICS; SOLVENTS;

ITERATIVE METHODS;

EID: 84871217182     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4767980     Document Type: Article

References (35)

1. R. Lambert and N. Makri, J. Chem. Phys. 137, 22A552 (2012). 10.1063/1.4767931
2. R. P. Feynman and A. R. Hibbs, Quantum Mechanics and Path Integrals (McGraw-Hill, New York, 1965).
3. N. Makri, Comput. Phys. Commun. 63, 389 (1991). 10.1016/0010-4655(91) 90265-M
4. N. Makri, J. Chem. Phys. 109, 2994 (1998). 10.1063/1.476891
5. N. Makri, Chem. Phys. Lett. 193, 435 (1992). 10.1016/0009-2614(92)85654-S
6. N. Makri, J. Phys. Chem. 97, 2417 (1993). 10.1021/j100112a050
7. M. Topaler and N. Makri, Chem. Phys. Lett. 210, 448 (1993). 10.1016/0009-2614(93)87052-5
8. D. E. Makarov and N. Makri, Chem. Phys. Lett. 221, 482 (1994). 10.1016/0009-2614(94)00275-4
9. N. Makri and D. E. Makarov, J. Chem. Phys. 102, 4600 (1995). 10.1063/1.469508
10. N. Makri and D. E. Makarov, J. Chem. Phys. 102, 4611 (1995). 10.1063/1.469509
11. E. Sim and N. Makri, Comput. Phys. Commun. 99, 335 (1997). 10.1016/S0010-4655(96)00130-0
12. N. Makri, J. Chem. Phys. 111, 6164 (1999). 10.1063/1.479919
13. J. Shao and N. Makri, Chem. Phys. 268, 1 (2001). 10.1016/S0301-0104(01) 00286-5
14. J. Shao and N. Makri, J. Chem. Phys. 116, 507 (2002). 10.1063/1.1423936
15. X. Sun, H. Wang, and W. H. Miller, J. Chem. Phys. 109, 4190 (1998). 10.1063/1.477025
16. N. Makri and K. Thompson, Chem. Phys. Lett. 291, 101 (1998). 10.1016/S0009-2614(98)00590-9
17. K. Thompson and N. Makri, J. Chem. Phys. 110, 1343 (1999). 10.1063/1.478011
18. H. Wang, X. Sun, and W. H. Miller, J. Chem. Phys. 108, 9726 (1998). 10.1063/1.476447
19. Q. Shi and E. Geva, J. Chem. Phys. 118, 8173 (2003). 10.1063/1.1564814
20. J. A. Poulsen, G. Nyman, and P. J. Rossky, J. Chem. Phys. 119 (23), 12179 (2003). 10.1063/1.1626631
21. E. J. Wigner, Chem. Phys. 5, 720 (1937).
22. M. Thoss, H. Wang, and W. H. Miller, J. Chem. Phys. 114, 9220 (2001). 10.1063/1.1359242
23. W. C. Swope, H. C. Andersen, P. H. Berens, and K. R. Wilson, J. Chem. Phys. 76, 637 (1982). 10.1063/1.442716
24. M. F. Trotter, Proc. Am. Math. Soc. 10, 545 (1959). 10.1090/S0002-9939- 1959-0108732-6
25. N. Makri, Chem. Phys. Lett. 159, 489 (1989). 10.1016/0009-2614(89)87521-9
26. E. Sim and N. Makri, Chem. Phys. Lett. 249, 224 (1996). 10.1016/0009-2614(95)01374-1
27. E. Sim, J. Chem. Phys. 115, 4450 (2001). 10.1063/1.1394208
28. R. Lambert and N. Makri, Mol. Phys. 110, 1967 (2012). 10.1080/00268976.2012.700408
29. V. Jadhao and N. Makri, J. Chem. Phys. 129, 161102 (2008). 10.1063/1.3000393
30. V. Jadhao and N. Makri, J. Chem. Phys. 132, 104110 (2010). 10.1063/1.3317477
31. V. Jadhao and N. Makri, J. Chem. Phys. 133, 114105 (2010). 10.1063/1.3476462
32. C. O. Baltaretu and N. Makri, J. Chem. Phys. 133, 164103 (2010). 10.1063/1.3488106
33. A. O. Caldeira and A. J. Leggett, Physica A 121, 587 (1983). 10.1016/0378-4371(83)90013-4
34. N. Makri, Mol. Phys. 110, 1001 (2012). 10.1080/00268976.2012.680516
35. N. Makri, J. Phys. Chem. B 103, 2823 (1999). 10.1021/jp9847540