A quantitative theory and computational approach for the vibrational Stark effect

Journal of Chemical Physics

Volumn 119, Issue 2, 2003, Pages 851-858

  Brewer, Scott H ^a   Franzen, Stefan ^a  

^a NORTH CAROLINA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON MONOXIDE; CARBON NITRIDE; CHEMICAL BONDS; COMPUTATIONAL METHODS; ELECTRIC FIELDS; OPTIMIZATION; POLARIZATION; PROBABILITY DENSITY FUNCTION; STRETCHING; TUNING;

ANHARMONICITY;

MOLECULAR VIBRATIONS;

EID: 0043270397     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1578471     Document Type: Article

References (30)

1. E. S. Park, S. S. Andrews, R. B. Hu, and S. G. Boxer, J. Phys. Chem. B 103, 9813 (1999).
2. E. S. Park, M. R. Thomas, and S. G. Boxer, J. Am. Chem. Soc. 122, 12297 (2000).
3. S. S. Andrews and S. G. Boxer, J. Phys. Chem. A 104, 11853 (2000).
4. S. S. Andrews and S. G. Boxer, J. Phys. Chem. A 106, 469 (2002).
5. J. M. Hughes, M. C. Hutter, J. R. Reimers, and N. S. Hush, J. Am. Chem. Soc. 123, 8550 (2001).
6. E. S. Park and S. G. Boxer (unpublished).
7. N. S. Hush and M. L. Williams, J. Mol. Spectrosc. 50, 349 (1974).
8. J. E. Gready, G. B. Bacskay, and N. S. Hush, Chem. Phys. 31, 467 (1978).
9. C. W. Bauschlicher, Chem. Phys. Lett. 118, 307 (1985).
10. J. L. Andres, M. Duran, A. Lledos, and J. Bertran, Chem. Phys. 151, 37 (1991).
11. K. Hermansson and H. Tepper, Mol. Phys. 89, 1291 (1996).
12. N. S. Hush and J. R. Reimers, J. Phys. Chem. 99, 15798 (1995).
13. J. R. Reimers, J. Zeng, and N. S. Hush, J. Phys. Chem. 100, 1498 (1996).
14. J. R. Reimers and N. S. Hush, J. Phys. Chem. A 103, 10580 (1999).
15. D. K. Lambert, Solid State Commun. 51, 297 (1984).
16. D. K. Lambert, J. Chem. Phys. 89, 3847 (1988).
17. D. K. Lambert, Electrochim. Acta 41, 623 (1996).
18. C. E. Dykstra, J. Chem. Educ. 65, 198 (1988).
19. J. Marti and D. M. Bishop, J. Chem. Phys. 99, 3860 (1993).
20. B. Delley, J. Chem. Phys. 92, 508 (1990).
21. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 46, 6671 (1992).
22. S. E. Lappi, W. Collier, and S. Franzen, J. Phys. Chem. A 106, 11446 (2002).
23. W. B. Collier, Quantum Chemistry Program Exchange Bulletin 13, 19 (1993).
24. J. K. Cashion, J. Chem. Phys. 39, 1872 (1963).
25. D. J. Malik, J. Eccles, and D. Secrest, J. Comput. Phys. 38, 157 (1980).
26. See EPAPS Document No. E-JCPSA6-119-029325 for Supporting Information. A direct link to this document may be found in the online article's HTML reference section. The document may also be reached via the EPAPS homepage (http://www.aip.org/pubservs/epaps.html) or from ftp.aip.org in the directory /epaps/. See the EPAPS homepage for more information.
27. S. Franzen and S. G. Boxer, J. Phys. Chem. 97, 6304 (1993).
28. G. U. Bublitz and S. G. Boxer, Annu. Rev. Phys. Chem. 48, 213 (1993).
29. R. Wortmann and D. M. Bishop, J. Chem. Phys. 108, 1001 (1998).
30. R. M. Badger, J. Chem. Phys. 2, 128 (1934).