A generalized Poisson equation and short-range self-interaction energies

Journal of Chemical Physics

Volumn 128, Issue 24, 2008, Pages

  Varganov, Sergey A ^a   Gilbert, Andrew T B ^a   Gill, Peter M W ^a  

^a AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

FLOW INTERACTIONS; POISSON DISTRIBUTION; TELEMETERING SYSTEMS;

AMERICAN INSTITUTE OF PHYSICS (AIP); DENSITY FUNCTIONALS; LOCAL MAPPING; NEWTONIAN; POISSON; SELF INTERACTIONS; SELF-INTERACTION ENERGY;

POISSON EQUATION;

EID: 46149102515     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2945298     Document Type: Article

References (30)

1. I. Panas, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(95)01013-Y 245, 171 (1995).
2. A. Savin, Recent Developments of Modern Density Functional Theory (Elsevier, Amsterdam, 1996).
3. J. P. Dombroski, S. W. Taylor, and P. M. W. Gill, J. Phys. Chem. JPCHAX 0022-3654 10.1021/jp952841b 100, 6272 (1996).
4. P. M. W. Gill, R. D. Adamson, and J. A. Pople, Mol. Phys. MOPHAM 0026-8976 10.1080/00268979650026037 88, 1005 (1996).
5. H. Iikura, T. Tsuneda, T. Yanai, and K. Hirao, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1383587 115, 3540 (2001).
6. I. Sirbu and H. F. King, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1506915 117, 6411 (2002).
7. J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1564060 118, 8207 (2003).
8. J. Toulouse, F. Colonna, and A. Savin, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.70.062505 70, 062505 (2004).
9. Y. Tawada, T. Tsuneda, S. Yanagisawa, T. Yanai, and K. Hirao, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1688752 120, 8425 (2004).
10. T. Yanai, D. P. Tew, and N. C. Handy, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/j.cplett.2004.06.011 393, 51 (2004).
11. R. Baer and D. Neuhauser, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.043002 94, 043002 (2005).
12. I. C. Gerber and J. G. Angyan, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/j.cplett.2005.08.060 415, 100 (2005).
13. J. Toulouse and A. Savin, J. Mol. Struct.: THEOCHEM THEODJ 0166-1280 10.1016/j.theochem.2005.10.014 762, 147 (2006).
14. J. G. Angyan, I. Gerber, and M. Marsman, J. Phys. A JPHAC5 0305-4470 10.1088/0305-4470/39/27/005 39, 8613 (2006).
15. O. A. Vydrov, J. Heyd, A. V. Krukau, and G. E. Scuseria, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2244560 125, 074106 (2006).
16. M. J. G. Peach, A. J. Cohen, and D. J. Tozer, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/b608553a 8, 4543 (2006).
17. T. Sato, T. Tsuneda, and K. Hirao, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2747243 126, 234114 (2007).
18. J. W. Song, S. Tokura, T. Sato, M. A. Watson, and K. Hirao, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2790017 127, 154109 (2007).
19. A. D. Dutoi and M. Head-Gordon, J. Phys. Chem. A JPCAFH 1089-5639 112, 2110 (2008).
20. J. D. Chai and M. Head-Gordon, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2834918 128, 084106 (2008).
21. R. D. Adamson, J. P. Dombroski, and P. M. W. Gill, J. Comput. Chem. JCCHDD 0192-8651 10.1002/(SICI)1096-987X(19990715)20:9<921::AID-JCC3>3.0. CO;2-K 20, 921 (1999).
22. P. M. W. Gill, Adv. Quantum Chem. AQCHA9 0065-3276 25, 141 (1994).
23. P. M. W. Gill and R. D. Adamson, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(96)00931-1 261, 105 (1996).
24. H. Yukawa, Proc. Phys. Math. Soc. Jpn. PPMJAJ 0370-1239 17, 48 (1935).
25. P. P. Ewald, Ann. Phys. ANPYA2 0003-3804 10.1002/andp.19213690304 64, 253 (1921).
26. R. D. Adamson, J. P. Dombroski, and P. M. W. Gill, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(96)00280-1 254, 329 (1996).
27. S. J. Chakravorty and E. Clementi, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.39.2290 39, 2290 (1989).
28. A. W. Overhauser, Can. J. Phys. CJPHAD 0008-4204 73, 683 (1995).
29. A. M. Lee, S. W. Taylor, J. P. Dombroski, and P. M. W. Gill, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.55.3233 55, 3233 (1997).
30. J. P. Boyd, Chebyshev and Fourier Spectral Methods, 2nd ed. (Dover, New York, 2000).