Accurately solving the electronic Schrödinger equation of atoms and molecules using explicitly correlated (r12−)MR-CI IV. The helium dimer (He2)

Molecular Physics

Volumn 96, Issue 9, 1999, Pages 1423-1434

  Gdanitz, R J ^a  

^a TECHNICAL UNIVERSITY OF BRAUNSCHWEIG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000059745     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268979909483086     Document Type: Article

References (70)

1. London, F., 1930. Z. Phys., 63:245
2. Luo, F., McBane, G., Kim, G., and Giese, C. F., 1993. J. chem. Phys., 98:2564
3. Meyer, E. S., Mester, J. C., and Silvera, I. F., 1994. J. chem. Phys., 100:4021
4. Luo, F., McBane, G., Kim, G., Giese, C. F., and Gentry, W. R., 1994. J. chem. Phys., 100:4023
5. Schöllkopf, W., and Toennies, J. P., 1994. Science, 266:1345
6. Luo, F., Giese, C. F., and Gentry, W. R., 1996. J. chem. Phys., 104:1151
7. Schöllkopf, W., and Toennies, J. P., 1996. J. chem. Phys., 104:1155
8. Komasa, J., private communication.
9. Korona, T., Williams, H. L., Bukowski, R., Jeziorski, B., and Szalewicz, K., 1997. J. chem. Phys., 106:5109
10. Komasa, J., and Rychlewski, J., 1997. Molec. Phys., 91:909
11. Komasa, J., and Rychlewski, J., 1996. Chem. Phys. Lett., 249:253
12. Williams, H. L., Korona, T., Bukowski, R., Jeziorski, B., and Szalewicz, K., 1996. Chem. Phys. Lett., 262:431
13. Klopper, W., and Noga, J., 1995. J. chem. Phys., 103:6127
14. van Mourik, T., and van Lenthe, J. H., 1995. J. chem. Phys., 102:7479
15. Anderson, J. B., Traynor, C. A., and Boghosian, B. M., 1993. J. chem. Phys., 99:345
16. Liu, B., and McLean, A. D., 1989. J. chem. Phys., 91:2348
17. Ceperley, D. M., and Partridge, H., 1986. J. chem. Phys., 84:820
18. Gdanitz, R. J., and Ahlrichs, R., 1998. Chem. Phys. Lett., 143:413
19. Gdanitz, R. J., 1993. Chem. Phys. Lett., 210:253
20. Gdanitz, R. J., and Röhse, R. 1995. Intl. J. Quantum Chem., 55:147 1996, Intl. J. Quantum Chem.59, E505.
21. Gdanitz, R. J., 1998. Chem. Phys. Lett., 283:253 288, E590;295, E540.
22. Gdanitz, R. J., 1998. J. chem. Phys., 109:9795
23. Gdanitz, R. J., 1999. J. chem. Phys., 110:706
24. Fock, V. A., 1954. Izvest. Akad. Nauk SSSR Ser. Fiz., 18:161 1958, Engl. transl. D. Kngl. Norske Videnskab. Selsk. Forh.31, 138, 145.
25. Kato, T., 1957. Commun. pure appl. Math., 10:151
26. Pack, R. T., and Brown, W. B., 1966. J chem. Phys., 45:556
27. Schwartz, C., 1962. Phys. Rev., 126:1015
28. Lakin, W., 1965. J. chem. Phys., 43:2954
29. Hill, R. N., 1985. J. chem. Phys., 83:1173
30. Kutzelnigg, W., and Morgan, J. D., III. 1992. J. chem. Phys., 96:4484
31. Gutowski, M., Verbeek, J., van Lenthe, J. H., and Chalasinski, G., 1987. Chem. Phys., 111:271
32. Hylleraas, E. A., 1929. Z. Phys., 54:347
33. Kutzelnigg, W., 1985. Theoret. Chim. Acta, 68:445
34. Kutzelnigg, W., and Klopper, W., 1991. J. chem. Phys., 94 1985
35. Noga, J., Klopper, W., and Kutzelnigg. 1997. Recent advances in Coupled-Cluster Methods Edited by:Bartlett, R. J., 1Singapore:World Scientific.
36. Klopper, W., 1991. Chem. Phys. Lett., 186:583
37. Gdanitz, R. J., 1997. Amica suite of programs, unpublished.
38. Lischka, H., Shepard, R., Brown, F. B., and Shavitt, I., Intl. J. Quantum Chem. Symp., S1591
39. Ahlrichs, R., Böhm, H.-J., Ehrhardt, C., Scharf, P., Schiffer, H., Lischka and Schindler, M., 1985. J. comput. Chem., 6:200
40. Shepard, R., Shavitt, I., Pitzer, R. M., Comeau, D. C., Pepper, M., Lischka, H., Szalay, P. G., Ahlrichs, R., Brown, F. B., and Zhao, J.-G., 1988. Intl. J. Quantum Chem. Symp., 22:149
41. Klopper, W., unpublished.
42. Helgaker, T. U., 1986. Hermit program, unpublished.
43. Helgaker, T. U., and Taylor, P. R., 1992. Theoret. Chim. Acta, 83:177
44. Boys, S. F., and Bernardi, F., 1970. Molec. Phys., 19:553
45. Shepard, R., Lischka, H., Szalay, P. G., Kovar, T., and Ernzerhof, M., 1992. J. chem. Phys., 96:2085
46. Pyykkö, P., and Zhao, Y., 1989. Tech. Rep. 1, University of Helsinki.
47. Woon, D. E., 1994. J. chem. Phys., 100:2838
48. Burda, J. V., Zahradník, R., Hobza, P., and Urban, M., 1996. Molec. Phys., 89:425
49. Klopper, W., 1995. J. chem. Phys., 102:6168
50. Klopper, W., and Kutzelnigg, W., 1991. J. chem. Phys., 94:2020
51. Klobukowski, M., 14s basis set for helium, unpublished.
52. Boys, S. F., 1960. Proc. R. Soc. Lond. A, 258:402
53. Singer, K., 1960. Proc. R. Soc. Lond. A, 258:412
54. Cencek, W., Rychlewski, J., Jaquet, R., and Kutzelnigg, W., 1998. J. chem. Phys., 108:2831
55. Komasa, J., Cencek, W., and Rychlewski, J., 1995. Phys. Rev. A, 52:1
56. Jeziorski, B., Moszynski, R., and Szalwicz, K., 1994. Chem. Rev., 94:1887
57. Bukowski, R., Jeziorski, B., and Szalewicz, K., 1996. J. chem. Phys., 104:3306
58. van der Bovenkamp, J., private communication.
59. Partridge, J., and Bauschlicher, C. W., Jr. 1999. Molec. Phys., in press.
60. Chen, M.-K., and Chung, K. T., 1996. Phys. Rev A, 53:1439
61. Amos, R. D., and Handy, N. C., private communication as cited in [9].
62. Cooley, J. W., 1961. Math. Computations, 15:363
63. LeRoy, R. J., 1996. Chemical Physics Research Report CP-555R, University of Waterloo.
64. Audi, G., and Wapstra, A. H., 1995. Nucl. Phys. A, 595:409
65. Janzen, A. R., and Aziz, R. A., 1997. J. chem. Phys., 107:914
66. Casimir, H. B. G., and Polder, D., 1948. Phys. Rev., 73:360
67. Feinberg, G., and Sucher, J., 1970. Phys. Rev. A, 2:2395
68. Au, C.-K. E., and Feinberg, G., 1972. Phys. Rev A, 6:2433
69. Tang, K. T., and Toennies, J. P., 1984. J. chem. Phys., 80:3726
70. Bishop, D. M., and Pipin, J., 1993. Intl. J. Quantum Chem., 45:349