The spectroscopy of AgF: CASSCF+CASPT2 calculations on the lowest3∑+, 1∑+, 3∏, 1∏, and1Δ excited states

Journal of Chemical Physics

Volumn 113, Issue 19, 2000, Pages 8580-8588

  Ramirez Solis A ^a   Daudey, J P ^b  

^a UNIVERSIDAD AUTÓNOMA DEL ESTADO DE MORELOS   (Mexico)

^b European Theoretical Spectroscopy Facility   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; PERTURBATION TECHNIQUES; SPECTROSCOPIC ANALYSIS;

COMPLETE ACTIVE SPACE SELF-CONSISTENT FIELDS (CASSCF); SILVER FLUORIDE;

SILVER COMPOUNDS;

EID: 0034324491     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (21)

1. R. S. Mulliken, Phys. Rev. 51, 310 (1937).
2. M. M. Yoshi and D. Sharma, Indian J. Pure Appl. Phys. l, 86 (1963).
3. R. M. Clements and R. F. Barrow, Chem. Commun. (London) l, 27 (1968).
4. K. F. Zmbov and J. L. Margrave, J. Phys. Chem. 71, 446 (1967).
5. R. F. Barrow and R. M. Clements, Proc. R. Soc. London, Ser. A 322, 243 (1971).
6. J. Hoeft, F. J. Lovas, E. Tiemann, and T. Törring, Z. Naturforsch. A 25, 35 (1970).
7. H. Wang and J. L. Gole, J. Chem. Phys. 98, 9311 (1993).
8. A. Ramírez-Solis and J. Schamps, J. Chem. Phys. 102, 4482 (1995).
9. MOLCAS, Version 4, K. Anderson, M. R. A. Blomberg, M. P. Fülscher et al., Lund University, Sweden (1997).
10. D. Andrae, U. Haussermann, M. Dolg, H. Stoll, and H. Preuss, Theor. Chim. Acta 77, 123 (1990).
11. P.-O. Widmark, P.-A. Malmqvist, and B. O. Roos, Theor. Chim. Acta 77, 291(1990).
12. C. E. Moore, Atomic Energy Levels, NBS Circ. 467 (GPO, Washington, D.C., 1952).
13. G. Herzberg, The Spectra of Diatomic Molecules (van Nostrand, New York, 1951).
14. R. E. Steele and H. P. Broida, J. Chem. Phys. 69, 2300 (1978).
15. J. M. Delavai, Y. Lefebvre, H. Bocquet, P. Bernage, and P. Niay, Chem. Phys. 111, 129 (1987).
16. I. Hikmet, P. Kowalczyk, and N. Sadeghi, Chem. Phys. Lett. 188, 287 (1992).
17. J. M. Delavai and J. Schamps, Chem. Phys. 100, 21 (1985).
18. J. Schamps, J. M. Delavai, and O. Faucher, Chem. Phys. 145, 101 (1990).
19. J. M. Delavai, J. Schamps, A. Ramírez-Solís, and J. P. Daudey, J. Chem. Phys. 97, 6588 (1992).
20. B. Huron, J. P. Malrieu, and P. Rancurel, J. Chem. Phys. 58, 5745 (1973).
21. CIPSI code written by M. Pélissier, J. P. Daudey, S. Evangelisti, and J. P. Malrieu.