Decomposition of the total energy at the HF-SCF level and at several levels of correlation: I. A study of the interaction in clusters of He, Ne and Ar atoms

Molecular Physics

Volumn 87, Issue 3, 1996, Pages 569-579

  Kozmutza, C ^a   Tfirst, E ^a,b   Kapuy, E ^a,c  

^a BUDAPEST UNIVERSITY OF TECHNOLOGY AND ECONOMICS   (Hungary)

^b INSTITUTE OF EXPERIMENTAL MEDICINE   (Hungary)

^c UNIVERSITY OF SZEGED   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0042617437     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268979600100391     Document Type: Article

References (36)

1. van Lenthe, J.H., van Duijneveldt-van de Rijdt, J.G.C.M., and van Duijneveldt, F.B., 1987. Adv. chem. Phys., 69:521–521.
2. Collins, J.R., and Gallup, G.A., 1983. Molec. Phys., 49:871–871.
3. van Duijneveldt, F.B., van Duijneveldt-van de Rijdt, J.G.C.M., and van Lenthe, J.H., 1994. Chem. Rev., 94:1873–1873.
4. Liu, B., and McLean, A.D., 1973. J. chem. Phys., 59:4557–4557.
5. Schwenke, D.W., and Truhlar, D.G., 1985. J. chem. Phys., 82:2418–2418. Cullen, J. M., 1991, Int. J. Quantum Chem. Symp., 25, 193; Gutowski, M., and Chalasinski, G., 1993, J. chem. Phys., 98, 5540; Davidson, E. R., and Chakravorty, S. J., 1994, Chem. Phys. Lett., 217, 48.
6. Boys, S.F., and Bernardi, F., 1970. Molec. Phys., 19:553–553.
7. Gutowski, M., van Duijneveldt-van de Rijdt, J.G.C.M., van Lenthe, J.H., and van Duijneveldt, F.B., 1993. J. chem. Phys., 98:4728–4728.
8. Schaefer, H.F., McLaughlin, D.R., Harris, F.E., and Alder, B.J., 1970. Phys. Rev. Lett., 25:988–988.
9. Chalasinski, G., and Jeziorski, B., 1976. Molec. Phys., 32:81–81. Chalasinski, G., van Smaalen, S., and van Duijneveldt, F. B., 1982, Molec. Phys., 45, 1113.
10. Vos, R.J., van Duijneveldt, F.B., and van Lenthe, J.H., 1989. Molec. Phys., 67:1011–1011. Liu, B., and McLean, A. D., 1989, J. chem. Phys., 91, 2348.
11. Tao, F.-M., and Pan, Y.-K., 1992. J. chem. Phys., 97:4989–4989. Chem. Phys. Lett., 194, 162; van Mourik, T., and van Lenthe, J. H., 1995, J. chem. Phys., 102, 7479.
12. Wells, B., and Wilson, S., 1983. Molec. Phys., 50:1295–1295. 1988, Molec. Phys., 65, 1363.
13. Gutowski, M., van Lenthe, J.H., Verbeek, J., van Duijneveldt, F.B., and Chalasinski, G., 1986. Chem. Phys. Lett., 124:370–370.
14. Tao, F.-M., 1994. Chem. Phys. Lett., 227:401–401.
15. Bhattacharya, A., and Anderson, J.B., 1994. J. chem. Phys., 100:8999–8999.
16. Parish, C.A., and Dykstra, C.E., 1993. J. chem. Phys., 98:437–437.
17. Kapuy, E., Csépes, Z., and Kozmutza, C., 1983. Int. J. Quantum Chem., 23:981–981. Kapuy, E., and Kozmutza, C., 1991, J. chem. Phys., 94, 5565.
18. Kozmutza, C., Kapuy, E., and Tfirst, E., 1994. Molec. Phys., 82:343–343. Kozmutza, C., Kapuy, E., and Evleth, E. M., 1993, J. comput. Chem., 14, 1136.
19. Kapuy, E., and Kozmutza, C., 1994. Chem. Phys. Lett., 226:484–484.
20. Huzinaga, S., 1965. J. chem. Phys., 42:1293–1293.
21. Hariharan, P.C., and Pople, J.A., 1973. Theoret. Chim. Acta, 28:213–213. Krishnan, R., Binkley, J. S., Seeger, R., and Pople, J. A., 1980, J. chem. Phys., 72, 650.
22. Huzinaga, S., and Sakai, Y., 1969. J. chem. Phys., 50:1374–1374.
23. Poirier, R., Kari, R., and Csizmadia, I.G., 1985. Handbook of Gaussian Basis Sets, Amsterdam:Elsevier.
24. Kristyan, S., and Pulay, P., 1994. Chem. Phys. Lett., 229:175–175.
25. Kozmutza C., Kapuy E., Evleth E.M., Pipek J., Tfirst E., Trézl L., Int. J. Quantum Chem. Symp. in press 1995
26. Muguruma, C., Koga, N., Kitaura, K., and Morokuma, K., 1994. Chem. Phys. Lett., 224:139–139.
27. Mayer, I., Vibók, A., and Valiron, P., 1994. Chem. Phys. Lett., 224:166–166.
28. Saebø, S., Tong, W., and Pulay, P., 1992. J. chem. Phys., 96:2170–2170.
29. Pudzianowski, A.T., 1995. J. chem. Phys., 102:8029–8029.
30. Racine, S.C., and Davidson, E.R., 1993. J. phys. Chem., 97:6367–6367.
31. Szalewicz, K., Cole, S.J., Kolos, W., and Bartlett, R.J., 1988. J. chem. Phys., 89:3662–3662.
32. Latajka, Z., and Scheiner, S., 1986. J. phys. Chem., 84:341–341.
33. Tsuzuki, S., and Tanabe. 1991. J. chem. Phys., 95:2272–2272.
34. Wind, P., and Heully, J.-L., 1994. Chem. Phys. Lett., 230:35–35.
35. Muguet, F.F., and Robinson, G.W., 1995. J. chem. Phys., 102:3648–3648.
36. Kozmutza, C., and Kapuy, E., 1990. Int. J. Quantum Chem., 38:665–665.