A complete active-space self-consistent-field study on cubic N8

Nuovo Cimento della Societa Italiana di Fisica D - Condensed Matter, Atomic, Molecular and Chemical Physics, Biophysics

Volumn 18, Issue 12, 1996, Pages 1395-1405

  Evangelisti, S ^a   Gagliardi, L ^a  

^a UNIVERSITY OF BOLOGNA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001236228     PISSN: 03926737     EISSN: None     Source Type: Journal    
DOI: 10.1007/BF02453781     Document Type: Article

References (19)

1. SEIDL E. T. and SCHAEFER H. F. III, J. Chem. Phys., 88 (1988) 7043.
2. LEE T. J. and RICE J. E., J. Chem. Phys., 94 (1991) 1215.
3. ENGELKE R. and STINE J. R., J. Phys. Chem., 94 (1990) 5689.
4. BLIZNYUK A. A., SHEN M. and SCHAEFER H. F. III, Chem. Phys. Lett., 198 (1992) 249.
5. EATON P. E. and COLE W. T., J. Am. Chem. Soc., 86 (1964) 3157.
6. TRINQUIER G., MALRIEU J. and DAUDEY J., Chem. Phys. Lett., 80 (1981) 552.
7. ENGELKE R., J. Org. Chem., 57 (1992) 4841.
8. ENGELKE R., J. Am. Chem. Soc., 115 (1993) 2961.
9. LAUDERDALE W. J., STANTON J. F. and BARTLETT R. J., J. Phys. Chem., 96 (1992) 1173.
10. LEININGER M. L., SHERRILL C. D. and SCHAEFER H. F., III, J. Phys. Chem., 99 (1995) 2324.
11. DUMM K. M. and MOROKUMA K., J. Chem. Phys., 102 (1995) 4904.
12. HEHRE W. J., STEWART R. F. and POPLE J. A., J. Chem. Phys., 51 (1969) 2657.
13. DUNNING T. H., J. Chem. Phys., 90 (1989) 1007.
14. A suite of Quantum Chemistry developed by AMOS R. D. (with contributions from I. L. ALBERTS, J. S. ANDREWS, S. M. COLWELL, N. C. HANDY, D. JAYATILAKA, P. J. KNOWLES, R. KOBAYASHI, N. KOGA, K. E. LAIDIG, P. E. MASLEU, C. W. MURRAY, J. E. RICE, J. SANZ, E. D. SIMANDIRAS, A. J. STONE and M. D. SU), CADPAC, The Cambridge Analytic Derivatives, Package Issue 5, Cambridge, 1992.
15. MOLPRO is a package of ab initio programs written by H.-J. WERNER and P. J. KNOWLES with contributions of J. ALMLOF, R. D. AMOS, S. T. ELBERT, W. MEYER, E.-A. REINSCH, R. M. PITZER, A. J. STONE and P. R. TAYLOR.
16. BAUSCHLICHER C. W. jr. and LANGHOFF S. R., J. Chem. Phys., 89 (1988) 4246.
17. DE MERAS A. S., LEPETIT M. B. and MALRIEU J. P., Chem. Phys. Lett., 172 (1990) 163.
18. BOYS S. F. and BERNARDI F., Mol. Phys., 19 (1970) 553.
19. ENGELKE R., HAY P. J., KLEIER D. A. and WADT W. R., J. Am. Chem. Soc., 106 (1984) 5439.