A self-consistent polarization potential model for describing excess electrons interacting with water clusters

Journal of Physical Chemistry B

Volumn 117, Issue 16, 2013, Pages 4365-4370

  Voora, Vamsee K ^a   Ding, Jing ^a   Sommerfeld, Thomas ^b   Jordan, Kenneth D ^a  

^a UNIVERSITY OF PITTSBURGH   (United States)

^b SOUTHEASTERN LOUISIANA UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; ELECTRONS; POLARIZATION;

DISPERSION INTERACTION; ELECTRON BINDING ENERGY; EXCESS ELECTRONS; HIGH-LEVEL AB INITIO CALCULATIONS; POLARIZATION MODELS; POLARIZATION POTENTIAL; RELATIVE STABILITIES; SELF-CONSISTENT TREATMENT;

WATER TREATMENT;

EID: 84875496455     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp306940k     Document Type: Article

References (36)

1. Jacobson, L. D.; Herbert, J. M. Science 2011, 331, 1387
2. Turi, L.; Sheu, W.-S.; Rossky, P. J. Science 2005, 309, 914-917
3. Larsen, R. E.; Glover, W. J.; Schwartz, B. J. Science 2010, 329, 65-69
4. Bragg, A. E.; Verlet, J. R. R.; Kammrath, A.; Cheshnovsky, O.; Neumark, D. M. J. Am. Chem. Soc. 2005, 127, 15283-15295
5. Siefermann, K. R.; Liu, Y.; Lugovoy, E.; Link, O.; Faubel, M.; Buck, U.; Winter, B.; Abel, B. Nat. Chem. 2010, 2, 274-279
6. Ben-Amotz, D. J. Phys. Chem. Lett. 2011, 2, 1216-1222
7. Hammer, N. I.; Roscioli, J. R.; Bopp, J. C.; Headrick, J. M.; Johnson, M. A. J. Chem. Phys. 2005, 123, 244311
8. Sommerfeld, T.; DeFusco, A.; Jordan, K. D. J. Phys. Chem. A 2008, 112, 11021-11035
9. Choi, T. H.; Jordan, K. D. Chem. Phys. Lett. 2009, 475, 293-297
10. Sommerfeld, T.; Jordan, K. D. J. Phys. Chem. A 2005, 109, 11531-11538 PMID: 16354045.
11. Turi, L.; Borgis, D. J. Chem. Phys. 2002, 117, 6186-6195
12. Barnett, R. N.; Landman, U.; Cleveland, C. L.; Jortner, J. Phys. Rev. Lett. 1987, 59, 811-814
13. Barnett, R. N.; Landman, U.; Cleveland, C. L.; Jortner, J. J. Chem. Phys. 1988, 88, 4429-4447
14. Schnitker, J.; Rossky, P. J. J. Chem. Phys. 1987, 86, 3462-3470
15. Jacobson, L. D.; Williams, C. F.; Herbert, J. M. J. Chem. Phys. 2009, 130, 124115
16. Stampfli, P. Phys. Rep. 1995, 255, 1-77
17. Gutowski, M.; Skurski, P.; Boldyrev, A. I.; Simons, J.; Jordan, K. D. Phys. Rev. A 1996, 54, 1906-1909
18. Wang, F.; Jordan, K. D. J. Chem. Phys. 2002, 116, 6973-6981
19. Vysotskiy, V. P.; Cederbaum, L. S.; Sommerfeld, T.; Voora, V. K.; Jordan, K. D. J. Chem. Theory Comput. 2012, 8, 893-900
20. Ren, P.; Ponder, J. W. J. Phys. Chem. B 2003, 107, 5933-5947
21. Defusco, A.; Schofield, D. P.; Jordan, K. D. Mol. Phys. 2007, 105, 2681-2696
22. Thole, B. Chem. Phys. 1981, 59, 341-350
23. Light, J. C.; Carrington, T. Adv. Chem. Phys.; John Wiley and Sons, Inc.: New York, 2007; pp 263-310.
24. Koopmans, T. Physica 1934, 1, 104-113
25. Raghavachari, K.; Trucks, G. W.; Pople, J. A.; Head-Gordon, M. Chem. Phys. Lett. 1989, 157, 479-483
26. Sommerfeld, T.; Choi, T.-H.; Voora, V. K.; Jordan, K. D. Unpublished results.
27. Choi, T. H.; Sommerfeld, T.; Yilmaz, S. L.; Jordan, K. D. J. Chem. Theory Comput. 2010, 6, 2388-2394
28. Schirmer, J.; Cederbaum, L. S.; Walter, O. Phys. Rev. A 1983, 28, 1237-1259
29. Nooijen, M.; Snijders, J. G. J. Chem. Phys. 1995, 102, 1681-1688
30. Stanton, J. F.; Gauss, J. J. Chem. Phys. 1995, 103, 1064-1076
31. Nooijen, M.; Bartlett, R. J. J. Chem. Phys. 1995, 102, 3629-3647
32. Feng, D.-F.; Kevan, L. Chem. Rev. 1980, 80, 1-20
33. Dunning, T. H., Jr. J. Chem. Phys. 1989, 90, 1007-1023
34. Kendall, R. A.; Dunning, T. H., Jr.; Harrison, R. J. J. Chem. Phys. 1992, 96, 6796-6806
35. Mones, L.; Turi, L. J. Chem. Phys. 2010, 132, 154507
36. Mones, L.; Rossky, P. J.; Turi, L. J. Chem. Phys. 2011, 135, 084501