Integer discontinuity of density functional theory

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 89, Issue 5, 2014, Pages

  Mosquera, Martín A ^a   Wasserman, Adam ^a  

^a PURDUE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84900417405     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.89     Document Type: Article

References (28)

1. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964). PHRVAO 0031-899X 10.1103/PhysRev.136.B864
2. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965). PHRVAO 0031-899X 10.1103/PhysRev.140.A1133
3. K. Burke, J. Chem. Phys. 136, 150901 (2012). JCPSA6 0021-9606 10.1063/1.4704546
4. J. P. Perdew, R. G. Parr, M. Levy, and J. L. Balduz, Jr., Phys. Rev. Lett. 49, 1691 (1982). PRLTAO 0031-9007 10.1103/PhysRevLett.49.1691
5. N. D. Mermin, Phys. Rev. 137, A1441 (1965). PHRVAO 0031-899X 10.1103/PhysRev.137.A1441
6. E. J. Baerends, O. V. Gritsenko, and R. van Meer, Phys. Chem. Chem. Phys. 15, 16408 (2013). PPCPFQ 1463-9076 10.1039/c3cp52547c
7. A. J. Cohen, P. Mori-Sánchez, and W. Yang, Science 321, 792 (2008). SCIEAS 0036-8075 10.1126/science.1158722
8. Y. Zhang and W. Yang, J. Chem. Phys. 109, 2604 (1998). JCPSA6 0021-9606 10.1063/1.476859
9. D. J. Tozer, J. Chem. Phys. 119, 12697 (2003). JCPSA6 0021-9606 10.1063/1.1633756
10. J. I. Fuks, A. Rubio, and N. T. Maitra, Phys. Rev. A 83, 042501 (2011). PLRAAN 1050-2947 10.1103/PhysRevA.83.042501
11. M. Hellgren and E. K. U. Gross, Phys. Rev. A 85, 022514 (2012). PLRAAN 1050-2947 10.1103/PhysRevA.85.022514
12. M. Mundt and S. Kümmel, Phys. Rev. Lett. 95, 203004 (2005). PRLTAO 0031-9007 10.1103/PhysRevLett.95.203004
13. S. Kurth, G. Stefanucci, E. Khosravi, C. Verdozzi, and E. K. U. Gross, Phys. Rev. Lett. 104, 236801 (2010). PRLTAO 0031-9007 10.1103/PhysRevLett.104. 236801
14. S. Kurth and G. Stefanucci, Phys. Rev. Lett. 111, 030601 (2013). PRLTAO 0031-9007 10.1103/PhysRevLett.111.030601
15. P. Mori-Sánchez, A. J. Cohen, and W. Yang, Phys. Rev. Lett. 100, 146401 (2008). PRLTAO 0031-9007 10.1103/PhysRevLett.100.146401
16. A. J. Cohen, P. Mori-Sánchez, and W. Yang, Chem. Rev. 112, 289 (2012). CHREAY 0009-2665 10.1021/cr200107z
17. A. J. Cohen, P. Mori-Sánchez, and W. Yang, J. Chem. Phys. 126, 191109 (2007). JCPSA6 0021-9606 10.1063/1.2741248
18. E. Kraisler and L. Kronik, Phys. Rev. Lett. 110, 126403 (2013). PRLTAO 0031-9007 10.1103/PhysRevLett.110.126403
19. J. F. Janak, Phys. Rev. B 18, 7165 (1978). PRBMDO 0163-1829 10.1103/PhysRevB.18.7165
20. R. J. Magyar and K. Burke, Phys. Rev. A 70, 032508 (2004). PLRAAN 1050-2947 10.1103/PhysRevA.70.032508
21. E. Räsänen, S. Pittalis, K. Capelle, and C. R. Proetto, Phys. Rev. Lett. 102, 206406 (2009). PRLTAO 0031-9007 10.1103/PhysRevLett.102.206406
22. K. Levenberg, Q. Appl. Math. 2, 164 (1944).
23. D. W. Marquardt, J. Soc. Ind. Appl. Math. 11, 431 (1963). JSIMAV 0368-4245 10.1137/0111030
24. E. Polak and G. Ribiere, ESAIM-Math. Model. Num. 3, 35 (1969).
25. M. H. Cohen and A. Wasserman, J. Phys. Chem. A 111, 2229 (2007). JPCAFH 1089-5639 10.1021/jp066449h
26. J. Perdew, in Density Functional Methods in Physics, edited by R. M. Dreizler and J. da Providência (Plenum Press, New York, 1985).
27. M. A. Mosquera and A. Wasserman (unpublished).
28. M. A. Mosquera and A. Wasserman (unpublished).