Multireference many-body perturbation theory calculations on negative ions with small electron detachment energies

International Journal of Quantum Chemistry

Volumn 96, Issue 3, 2004, Pages 202-209

  Izmailov, Arthur ^a   Zaitsevskii, Andréi ^a  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

Electron affinities; Multireference many body perturbation theory

Indexed keywords

BARIUM; CALCIUM; CALCULATIONS; ELECTRON ENERGY LEVELS; ELECTRONS; HAMILTONIANS; MATHEMATICAL MODELS; NEGATIVE IONS; PERTURBATION TECHNIQUES; STRONTIUM; WATER;

DYNAMIC CORRELATION EFFECTS; ELECTRON DETACHMENT ENERGIES; MULTIREFERENCE MANY BODY PERTURBATION THEORY;

QUANTUM THEORY;

EID: 0347655189     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10626     Document Type: Article

References (33)

1. Golab, J. T.; Yeager, D. L. J Chem Phys 1987, 87, 2925.
2. Nooijen, M.; Bartlett, R. J. J Chem Phys 1995, 102, 3629.
3. Zakrzewski, V. G.; Ortiz, J. V.; Nickols, J. A.; Heryadi, D.; Yeager, D. L.; Golab, J. T. Int J Quantum Chem 1996, 60, 29.
4. Malrieu, J. P. In: Schachinger, E.; Mitter, H.; Sormann, H., eds. Recent Progress in Many-Body Theories, vol 4; Plenum: New York, 1995; p 109.
5. Durand, P.; Malrieu, J. P. Adv Chem Phys 1987, 67, 321.
6. Avgoustoglou, E. N.; Beck, D. R. Phys Rev A 1997, 55, 4143.
7. Malrieu, J. P.; Durand, P.; Daudey, J. P. J Phys A Math Gen 1985, 18, 809.
8. Kozlowski, P. M.; Davidson, E. R. J Chem Phys 1994, 100, 3672.
9. Kobayashi, Y.; Nakano, H.; Hirao, K. Chem Phys Lett 2001, 336, 529.
10. Malrieu, J. P.; Heully, J. L.; Zaitsevskii, A. Theor Chim Acta 1995, 90, 167.
11. Heully, J. L.; Malrieu, J. P.; Zaitsevskii, A. J Chem Phys 1996, 105, 6887.
12. Zaitsevskii, A.; Malrieu, J. P. Theor Chem Acta 1997, 96, 269.
13. Zaitsevskii, A.; Malrieu, J. P. Chem Phys Lett 1996, 250, 366.
14. Murray, C. W.; Davidson, E. R. Chem Phys Lett 1991, 187, 451.
15. Dyall, K. G. J Chem Phys 1995, 102, 4909.
16. Angeli, C.; Cimiraglia, R.; Malrieu, J. P. Chem Phys Lett 2001, 350, 297.
17. Zaitsevskii, A.; Cimiraglia, R. Int J Quantum Chem 1999, 73, 395.
18. Johnson, W. R.; Sapirstein, J.; Blundell, S. A. J Phys B 1989, 22, 2341.
19. Lischka, H.; Shepard, R.; Shavitt, I.; Brown, F. B.; Pitzer, R. M.; Ahlrichs, R.; Böhm, H-J.; Chang, A. H. H.; Comeau, D. C.; Gdanitz, R.; Dachsel, H.; Dallos, M.; Erhard, C.; Ernzerhof, M.; Gawboy, G.; Höchtl, P.; Irle, S.; Kedziora, G.; Kovar, T.; Müller, T.; Parasuk, V.; Pepper, M.; Scharf, P.; Schiffer, H.; Schindler, M.; Schüler, M.; Stahlberg, E.; Szalay, P. G.; Zhao, J.-G. Columbus, release 5.6; University of Vienna, Vienna, Austria: Argonne National Laboratory: Argonne, IL; and Ohio State University: Columbus, OH, 2000.
20. Shepard, R.; Shavitt, I.; Pitzer, R. M.; Comeau, D. C.; Pepper, M.; Lischka, H.; Szalay, P. G.; Ahlrichs, R.; Brown, F. B.; Zhao, J. G. Int J Quantum Chem 1988, S22, 149.
21. Kaupp, M.; Schleyer, P. v. R.; Stoll, H.; Preuss, H. J Chem Phys 1991, 94, 1366.
22. Kendall, R. A.; Dunning, T. H., Jr.; Harrison, R. J. J Chem Phys 1992, 96, 6796.
23. Sundholm, D.; Olsen, J. Chem Phys Lett 1994, 217, 451.
24. Petrunin, V. V.; Andersen, H. H.; Balling, P.; Andersen, T. Phys Rev Lett 1996, 76, 744.
25. Berkovits, D.; Boaretto, E.; Ghelberg, S.; Heber, O.; Paul, M. Phys Rev Lett 1995, 75, 414.
26. Petrunin, V. V.; Voldstad, J. D.; Balling, P.; Kristensen, P.; Andersen, T.; Haugen, H. K. Phys Rev Lett 1995, 75, 1911.
27. Tsurusawa, T.; Iwata, S. Chem Phys Lett 1998, 287, 553.
28. Widmark, P.-O.; Persson, B. J.; Roos, B. O. Theor Chim Acta 1991, 79, 419.
29. Chipman, D. M. J Phys Chem 1979, 83, 1657.
30. Bowen, K. H.; Eaton, J. G. In: Naaman, R.; Vager, Z., eds. The Structure of Small Molecules and Ions; Plenum: New York, 1988; p 147.
31. Coe, J. V.; Lee, G. H.; Eaton, J. G.; Arnold, S. T.; Sarkas, H. W.; Bowen, K. H.; Ludewigt, C.; Harberland, H.; Worsnop, D. R. J Chem Phys 1990, 92, 3980.
32. Arnold, S. T. Ph.D. dissertation; Bowen Group, Johns Hopkins University: Baltimore, MD, 1993.
33. Finley, J. P. J Chem Phys 1998, 109, 7725.