Orbital-Free Embedding Effective Potential in Analytically Solvable Cases

Progress in Theoretical Chemistry and Physics

Volumn 19, Issue , 2009, Pages 311-326

  Savin, Andreas ^a   Wesolowski, Tomasz A ^b  

^a LABORATOIRE DE CHIMIE THÉORIQUE   (France)

^b UNIVERSITY OF GENEVA   (Switzerland)

Author keywords

Density functional theory; Embedding potential; Kinetic energy functional; Orbital free embedding

Indexed keywords

EID: 77949297273     PISSN: 15677354     EISSN: 22150129     Source Type: Book Series    
DOI: 10.1007/978-90-481-2596-8_15     Document Type: Chapter

References (36)

1. P. Hohenberg, W. Kohn, Phys. Rev. B 136, 864 (1964)
2. W. Kohn, L. J. Sham, Phys. Rev. 140, A1133 (1965)
3. T. A. Wesołowski, A. Warshel, J. Phys. Chem. 97, 8050 (1993)
4. T. A. Wesolowski, J. Weber, Chem. Phys. Lett. 248, 71 (1996)
5. ADF 2003.01, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands, http://www.scm.com.
6. T. A. Wesolowski, in Computational Chemistry: Reviews of Current Trends, vol. X, ed. by J. Leszczynski (World Scientific, Singapore, 2006), p. 1
7. Q. Wu, T. Van Voorhis, J. Chem. Phys. 125, 164105 (2006)
8. T. A. Wesołowski, Chem. Phys. Lett. 311, 87 (1999)
9. M. Zbiri, M. Atanasov, C. Daul, J.-M. Garcia Lastra, T. A. Wesolowski, Chem. Phys. Lett. 397, 441 (2004)
10. T. A. Wesolowski, J. Am. Chem. Soc. 126, 11444 (2004)
11. M. Leopoldini, N. Russo, M. Toscano, M. Dulak, T. A. Wesolowski, Chem. Eur. J. 12, 2532 (2006)
12. T. Klüner, N. Govind, Y. A. Wang, E. A. Carter, J. Chem. Phys. 116, 42 (2002)
13. D. Lahav, T. Kluner, J. Phys. – Cond. Matt. 19, 226001 (2007)
14. C. R. Jacob, L. Visscher, J. Chem. Phys. 128, 155102 (2008)
15. T. A. Wesolowski, Phys. Rev. A 77, 012504 (2008)
16. K. Pernal, T. A. Wesolowski, Int. J. Quantum. Chem. 109, 2520 (2009)
17. M. Casida, T. A. Wesolowski, Int. J. Quantun Chem. 96, 577 (2004)
18. T. A. Wesolowski, J. Weber, Int. J. Quantum Chem. 61, 303 (1997)
19. M. Hodak, W. Lu, J. Bernholc, J. Chem. Phys. 128, 014101 (2008)
20. T. A. Wesolowski, H. Chermette, J. Weber, J. Chem. Phys. 105, 9182 (1996)
21. T. A. Wesolowski, J. Chem. Phys. 106, 8516 (1997)
22. Y. A. Bernard, M. Dulak, J. W. Kaminski, T. A. Wesolowski, J. Phys. A 41, 055302 (2008)
23. J.-M. Garcia Lastra, J. W. Kaminski, T.A. Wesolowski, J. Chem. Phys. 129, 074107 (2008)
24. C. R. Jacob, S. M. Beyhan, L. Visscher, J. Chem. Phys. 126, 234116 (2007)
25. Q. Zhao, R. C. Morrison, R. G. Parr, Phys. Rev. A 50, 2138 (1994)
26. E. J. Baerends, Phys. Rev. Lett. 87, 133004 (2001)
27. W. Yang, Q. Wu, Phys Rev. Lett. 89, 143002 (2002)
28. O. Roncero, M. P. de Lara-Castells, P. Villarreal, F. Flores, J. Ortega, M. Paniagua, A. Aguado, J. Chem. Phys. 129, 184104 (2008)
29. M. Levy, Proc. Natl. Acad. Sci. USA 76, 6062 (1979)
30. M. Levy, Phys. Rev. A 26, 1200 (1982)
31. E. H. Lieb, Int. J. Quantum Chem. 24, 243 (1983)
32. J. P. Perdew, M. Levy, Phys. Rev. B 31, 6264 (1985)
33. J. P. Perdew, R. G Parr, M. Levy, J. L. Balduz Jr., Phys. Rev. Lett. 49, 1691 (1982)
34. D. J. Tozer, N. C. Handy, J. Chem. Phys. 109, 10180 (1998)
35. F. Colonna, A. Savin, J. Chem. Phys. 110, 2828 (1999)
36. F. Della Sala, A. Görling, Andreas, Phys. Rev. Lett. 89, 033003 (2002)