Correlation holes for the helium dimer

Journal of Chemical Physics

Volumn 128, Issue 13, 2008, Pages

  Piris, M ^a   Lopez, X ^a   Ugalde, J M ^a  

^a UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

COULOMB INTERACTIONS; FERMI LEVEL; HELIUM; PROBABILITY DISTRIBUTIONS;

DENSITY MATRIX; FERMI HOLES; HARTREE FOCK STATES; TWO PARTICLE CUMULANT;

DIMERS;

EID: 41849146049     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2883959     Document Type: Article

References (30)

1. T. L. Gilbert, Phys. Rev. B 12, 2111 (1975).
2. M. Levy, Proc. Natl. Acad. Sci. U.S.A. 76, 6062 (1979).
3. S. M. Valone, J. Chem. Phys. 73, 1344 (1980).
4. M. Piris, in Reduced-Density-Matrix Mechanics: With Application to Many-Electron Atoms and Molecules, Advances in Chemical Physics, Vol. 134, edited by, D. A. Mazziotti, (Wiley, New York, 2007), Chap., pp. 387-428.
5. D. A. Mazziotti, Chem. Phys. Lett. 289, 419 (1998).
6. M. Piris, Int. J. Quantum Chem. 106, 1093 (2006).
7. P. Leiva and M. Piris, J. Chem. Phys. 123, 214102 (2005).
8. P. Leiva and M. Piris, J. Mol. Struct.: THEOCHEM 770, 45 (2006).
9. P. Leiva and M. Piris, Int. J. Quantum Chem. 107, 1 (2006).
10. M. Piris, X. Lopez, and J. M. Ugalde, J. Chem. Phys. 126, 214103 (2007).
11. J. M. Herbert and J. E. Harriman, Int. J. Quantum Chem. 90, 355 (2002).
12. A. J. Coleman, Int. J. Quantum Chem., Symp. S1, 457 (1967).
13. E. Valderrama, J. M. Ugalde, and R. J. Boyd, in Many-Electron Densities and Reduced Density Matrices, edited by, J. Cioslowski, (Kluwer Academic/Plenum, New York, 2000), pp. 231-248.
14. J. M. Mercero, E. Valderrama, and J. M. Ugalde, in Metal-Ligand Interaction in Molecular-, Nano-, Micro-, and Macro-systems in Complex Enviroments, NATO Advanced Studies Institute, Series II: Maths, Physics and Chemistry, edited by, N. Russo, D. R. Salahub, and, M. Witko, (Kluwer, Dordrecht, 2003), pp. 205-239.
15. P. R. T. Schipper, O. V. Gritsenko, and E. J. Baerends, Phys. Rev. A 57, 1729 (1998).
16. T. Tsuneda, T. Suzumura, and K. Hirao, J. Chem. Phys. 110, 10664 (1999).
17. E. Valderrama, X. Fradera, and J. M. Ugalde, Phys. Rev. A 64, 044501 (2001).
18. C. A. Coulson and A. H. Neilson, Proc. Phys. Soc. London 78, 831 (1961).
19. R. J. Boyd and C. A. Coulson, J. Phys. B 6, 782 (1973).
20. E. P. Wigner and F. Seitz, Phys. Rev. 46, 509 (1934).
21. R. J. Boyd and C. A. Coulson, J. Phys. B 7, 1805 (1974).
22. R. McWeeny, Rev. Mod. Phys. 32, 335 (1960).
23. R. McWeeny, Int. J. Quantum Chem., Symp. 1S, 351 (1967).
24. M. A. Buijse and E. J. Baerends, Mol. Phys. 100, 401 (2002).
25. J. M. Ugalde, J. Phys. B 18, 4019 (1985).
26. E. V. Ludena, J. M. Ugalde, X. Lopez, J. Fernandez-Rico, and G. Ramirez, J. Chem. Phys. 120, 540 (2004).
27. D. A. Mazziotti, Phys. Rev. A 74, 032501 (2006).
28. D. E. Woon and T. H. Dunning, J. Chem. Phys. 100, 2975 (1994).
29. M. W. Schmidt, K. K. Baldridge, J. A. Boatz, S. T. Elbert, M. S. Gordon, J. H. Jensen, S. Koseki, N. Matsunaga, K. A. Nguyen, S. Su, T. L. Windus, M. Dupuis, and J. A. Montgomery, J. Comput. Chem. 14, 1347 (1993).
30. E. Valderrama and J. Ugalde, J. Math. Chem. 37, 211 (2005).