Is the Hohenberg–Kohn–Sham version of DFT a semi-empirical theory?

Journal of Molecular Structure: THEOCHEM - Tập 709 - Trang 25-29 - 2004
Eduardo V. Ludeña1,2
1Centro de Química, Institute Venezolano de Investigaciones Científicas, IVIC, Apartado 21827, Caracas 1020-A, Venezuela
2Departamento de Química-Física Aplicada, Facultad de Ciencias, Universidad Autónoma de Madrid, Cantoblanco, 28049 Madrid, Spain

Tài liệu tham khảo

Parr, 1989 Dreizler, 1990 Kryachko, 1990 March, 1992 2000 1995 Dobson, 1998 1995 1999 1996, vols. 180–183 2002 Hohenberg, 1964, Phys. Rev. B., 136B, 864, 10.1103/PhysRev.136.B864 Hohenberg, 1990, Adv. Quantum Chem., 21 Hohenberg, 1964, Phys. Rev. B., 136, 864, 10.1103/PhysRev.136.B864 Coleman, 2000 Beste, 2002, Chem. Phys. Lett., 355, 263, 10.1016/S0009-2614(02)00239-7 Kutzelnigg, 2000, Adv. Quantum Chem., 36, 185, 10.1016/S0065-3276(08)60484-0 Levy, 1979, Proc. Natl Acad. Sci. USA, 76, 6062, 10.1073/pnas.76.12.6062 Mazziotti, 2000, J. Chem. Phys., 112, 10125, 10.1063/1.481653 Löwdin, 1987, 21 Lieb, 1983, Int. J. Quantum Chem., 24, 243, 10.1002/qua.560240302 Eschrig, 1996 Valdemoro, 2000, 117 Nakatsuji, 1976, Phys. Rev. A, 14, 41, 10.1103/PhysRevA.14.41 Nakatsuji, 2000, 85 Alcoba, 2002, Phys. Rev. A, 65, 032519, 10.1103/PhysRevA.65.032519 Karasiev, 2002, Phys. Rev. A, 65, 062510, 10.1103/PhysRevA.65.062510 Becke, 1988, Phys. Rev. A, 38, 3098, 10.1103/PhysRevA.38.3098 Kryachko, 1991, Phys. Rev. A, 43, 2179, 10.1103/PhysRevA.43.2179 Ludeña, 1999, J. Comput. Chem., 20, 155, 10.1002/(SICI)1096-987X(19990115)20:1<155::AID-JCC14>3.0.CO;2-2 Ludeña, 2004, Int. J. Quantum Chem., 99, 297, 10.1002/qua.10858