Communication: Partial linearized density matrix dynamics for dissipative, non-adiabatic quantum evolution

Journal of Chemical Physics

Volumn 135, Issue 20, 2011, Pages

  Huo, Pengfei ^a   Coker, David F ^a,b  

^a USA   (United States)

^b UNIVERSITY COLLEGE DUBLIN   (Ireland)

Author keywords

[No Author keywords available]

Indexed keywords

AVOIDED CROSSINGS; CONDENSED PHASE; DENSITY MATRIX; DYNAMICAL PHENOMENA; FINITE TEMPERATURES; GENERAL MODEL; NON-ADIABATIC; PHOTOSYNTHETIC LIGHT; QUANTUM DYNAMICS; QUANTUM EVOLUTION; SCATTERING MODEL; THERMAL EQUILIBRATIONS;

DYNAMICS; ENERGY TRANSFER;

QUANTUM THEORY;

EID: 82555186536     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3664763     Document Type: Article

References (30)

1. P. Pechukas, Phys. Rev. 181, 174 (1969). 10.1103/PhysRev.181.174
2. J. C. Tully, J. Chem. Phys. 93, 1061 (1990). 10.1063/1.459170
3. J. Bader and B. Berne, J. Chem. Phys. 100, 8359 (1994). 10.1063/1.466780
4. H. D. Meyer and W. H. Miller, J. Chem. Phys. 70, 3214 (1979); 10.1063/1.437910
5. G. Stock and M. Thoss, Phys. Rev. Lett. 78, 578 (1997); 10.1103/PhysRevLett.78.578
6. G. Stock and M. Thoss, Phys. Rev. A 59, 64 (1999). 10.1103/PhysRevA.59.64
7. S. Bonella and D. F. Coker, J. Chem. Phys. 114, 7778 (2001); 10.1063/1.1366331 (Pubitemid 32486691)
8. E. A. Coronado, J. Xing, and W. H. Miller, Chem. Phys. Lett. 349, 512 (2001). 10.1016/S0009-2614(01)01242-8 (Pubitemid 33628630)
9. G. Tao and W. H. Miller, J. Phys. Chem. Lett. 1, 891 (2010). 10.1021/jz1000825
10. S. Bonella and D. F. Coker, J. Chem. Phys. 118, 4370 (2003); 10.1063/1.1542883
11. S. Bonella and D. F. Coker, J. Chem. Phys. 122, 194102 (2005). 10.1063/1.1896948 (Pubitemid 40914299)
12. N. Ananth, C. Venkataraman, and W. H. Miller, J. Chem. Phys. 127, 084114 (2007). 10.1063/1.2759932 (Pubitemid 47352509)
13. X. Sun, H. Wang, and W. H. Miller, J. Chem. Phys. 109, 7064 (1998); 10.1063/1.477389 (Pubitemid 128674371)
14. J. A. Poulsen, G. Nyman, and P. J. Rossky, J. Chem. Phys. 119, 12179 (2003); 10.1063/1.1626631
15. Q. Shi and E. Geva, J. Chem. Phys. 118, 8173 (2003). 10.1063/1.1564814
16. J. Vanicek, Phys. Rev. E 70, 055201(R) (2004). 10.1103/PhysRevE.70.055201 (Pubitemid 40108174)
17. N. Ananth and T. F. Miller III, J. Chem. Phys. 133, 234103 (2010); 10.1063/1.3511700
18. Z. Ma and D. F. Coker, J. Chem. Phys. 128, 244108 (2008). 10.1063/1.2944270
19. U. Mller and G. Stock, J. Chem. Phys. 108, 7516 (1998). 10.1063/1.476184
20. P. Huo and D. F. Coker, Consistent schemes for non-adiabatic dynamics derived from partial linearized density matrix propagation (unpublished).
21. E. R. Dunkel, S. Bonella, and D. F. Coker, J. Chem. Phys. 129, 114106 (2008). 10.1063/1.2976441
22. P. Huo and D. F. Coker, J. Chem. Phys. 133, 184108 (2010). 10.1063/1.3498901
23. A. Ishizaki and G. R. Fleming, Proc. Natl. Acad. Sci. U.S.A. 106, 17255 (2009). 10.1073/pnas.0908989106
24. J. Zhu, S. Kais, P. Rebentrost, and A. Aspuru-Guzik, J. Phys. Chem. B 115, 1531 (2011). 10.1021/jp109559p
25. J. Strmpfer and K. Schulten, J. Chem. Phys. 131, 225101 (2009). 10.1063/1.3271348
26. A. Nassimi, S. Bonella, and R. Kapral, J. Chem. Phys. 133, 134115 (2010). 10.1063/1.3480018
27. A. Kelly and Y. M. Rhee, J. Phys. Chem. Lett. 2, 808 (2011). 10.1021/jz200059t
28. X. Chen and R. J. Silbey, J. Phys. Chem. B 115, 5499 (2011). 10.1021/jp111068w
29. A. Ishizaki and G. R. Fleming, J. Phys. Chem. B 115, 6227 (2011). 10.1021/jp112406h
30. X. Chen and R. J. Silbey, J. Chem. Phys. 132, 204503 (2010). 10.1063/1.3435211