Electronic, structural, and hyperfîne interaction investigations on rydberg molécules: NH4, OH3, and FH2

Journal of Physical Chemistry A

Volumn 105, Issue 48, 2001, Pages 10915-10921

  Chen, Feiwu ^a   Davidson, Ernest R ^a  

^a INDIANA UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

RYDBERG MOLECULES;

CHEMICAL BONDS; DIFFUSION; DISSOCIATION; ELECTRONIC STRUCTURE; GROUND STATE; MATHEMATICAL MODELS; PHOTOIONIZATION; POTENTIAL ENERGY;

MOLECULAR DYNAMICS;

EID: 0035819218     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp013053r     Document Type: Article

References (51)

1. Hertzberg, G. Faraday Discuss. Chem. Soc. 1981, 71, 165.
2. Hertzberg, G. J. Astrophys. Astron. 1984, 5, 131.
3. Whittaker, E. A.; Sullivan, B. J.; Bjorklund, G. C.; Wendt, H. R.; Hunziker, H. E. J. Chem. Phys. 1984, 80, 961.
4. Watson, J. K. G. J. Mol. Phys. 1984, 707, 124.
5. Alberti, F. I.; Huber, K. P.; Watson, J. K. G. J. Mol. Phys. 1984, 77, 133.
6. Gellene, G. I.; Clearly, D. A.; Porter, R. F. J. Chem. Phys. 1982, 77, 3471. .
7. Fuke, K.; Takasu, R.; Misaizu, F. Chem. Phys. Lett. 1994, 229, 597.
8. Melton, C. E.; Joy, H. W. J. Chem. Phys. 1967, 46, 4275; 1968, 48, 5286.
9. Mulliken, R. S. J. Chem. Phys. 1933, 1, 492.
10. Bishop, D. M. J. Chem. Phys. 1964, 40, 432.
11. Strehl, W.; Hartmann, H.; Hensen, K.; Sarholtz, W. Tlicor. Chim. Acta 1970, 18, 290.
12. Broclawik, E.; Mrozek, J.; Smith, V. H., Jr. Chem. Phys. 1982, 66, 417.
13. Cardy, H.; Liotard, D.; Dargelos, A.; Poquet, E. Chem. Phys. 1983, 77, 287.
14. Kaspar, J.; Smith, V. H., Jr.; McMaster, B. N. Chem. Phys. 1985, 96, 81. I
15. Bernstein, H. J. J. Am. Chem. Soc. 1963, 85, 484.
16. Sworski, T. J. J. Am. Chem. Soc. 1964, 86, 5034;
17. Sworski, T. J. J. Am. Chem. Soc. 1955, 77, 4689;
18. Sworski, T. J. J. Am. Chem. Soc. 1953, 75, 4687.
19. Kongshaug, M.; Steen, H. B.; Cercek, B. Nat. Phys. Sei. 1971,234, 97.
20. Martin, T. W.; Swift, L. L. J. Am. Chem. Soc. 1971, 93, 2788.
21. Melamund, E.; Getz, D.; Schlick, S.; Silver, B. L. Chem. Phys. Lett. 1990, 75, 590.
22. Noda, S.; Yoshida, H. Y.; Kevan, L. Chem. Phys. Lett. 1973,19, 240.
23. Wargon, J. A.; Williams, F. Chem. Phys. Lett. 1972, 13, 579.
24. Gellene, G. L; Porter, R. F. J. Chem. Phys. 1984, 81, 5570.
25. Bishop, D. M. J. Chem. Phys. 1966, 45, 2474;
26. Bishop, D. M. J. Chem. Phys. 1968, 48, 5285.
27. Gangi, R. A.; Bader, R. F. W. Chem. Phys. Lett. 1971, 11, 216.
28. Niblaeus, K. S. E.; Roos, B. O.; Siegbahn, P. E. M. Chem. Phys. 1977, 25, 207.
29. Raynor, S.; Herschbach, D. R. J. Phys. Chem. 1982, 86, 3592.
30. Wang, J.; Boyd, R. J. Can. J. Phys. 1994, 72, 851.
31. Raksit, A. B.; Jeon, S.-J.; Porter, R. F. J. Phys. Chem. 1986, 90, 2298.
32. Petsalakis, I. D.; Theodorakopoulos, G.; Wright, J. S.; Hamilton, I. P. J. Chem. Phys. 1988, 88, 7633.
33. Feller, D.; Davidson, E. R. In Theoretical Models of Chemical Bonding: Part 3; Springer-Verlag: Berlin, 1991; pp 429-455.
34. Weltner, W., Jr. Magnetic Atoms and Molecules; Dover: Mineola, NY, 1989.
35. Knight, L. B., Jr.; Kirke, T. J.; Herlong, J.; Kaup, J. G.; Davidson, E. R. J. Chem. Phys. 1997, 707, 7011.
36. Knight, L. B., Jr.; Rice, W. E.; Moore, L.; Davidson, E. R.; Dailey, R. S. J. Chem. Phys. 1998, 709, 1409.
37. Knight, L. B., Jr.; Bell, B. A.; Cobranchi, D. P.; Davidson, E. R. J. Chem. Phys. 1999, 777, 3145.
38. Ghanty, T. K.; Davidson, E. R. Int. J. Quantum Chem. 2000, 77, 291.
39. Partridge, H. Near Hartree-Fock Quality Gaussian Type Orbital Basis Sets for the First- and Third-Row Atoms; NASA Technical Memorandum 101044; National Aeronautical and Space Administration: Moffett, CA, 1989.
40. Kendall, R. A.; Dunning, T. H., Jr.; Harrison, R. J. J. Chem. Phys. 1992, 96, 6796.
41. Dunning, T. H., Jr. J. Chem. Phys. 1989, 90, 1007.
42. MELD is a set of electronic structure programs written by L. E. McMurchie, S. T. Elbert, S. R. Langhoff, and E. R. Davidson with extensive modifications by D. Feller and D. C. Rawlings.
43. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomeli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Peterson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, L; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98; Gaussian, Inc.: Pittsburgh, PA, 1998.
44. Becke, A. D. Phys. Rev. A 1988, 38, 3098.
45. Beck, A. D. J. Chem. Phys. 1993, 98, 5648.
46. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
47. Feller, D. J. Chem. Phys. 1993, 98, 7059.
48. Sattelmeyer, K. W.; Schaefer, H. F., III; Stanton, J. F. J. Chem. Phys. 2001, 774, 9863.
49. Talbi, D.; Saxon, R. P. J. Chem. Phys. 1989, 97, 2376.
50. McLoughlin, P. W.; Gellene, G. I. J. Phys. Chem. 1992, 96,4396.
51. Symons, M. C. R. J. Am. Chem. Soc. 1980, 702, 3982.