Add functionals: LDA: *) McWeeny c (cited in JCP 69, 1177) R. McWeeny, in The New World of Quantum Chemistry, edited by B. Pullman and R. Parr (Reidel, Boston, 1976), p. 3. *) Handler x (JCP 61, 4824) *) Rae self-energy correction to x (CPL 18, 574 (1973)) GGAs: mGGAs: *) Colle and Salvetti http://www.molpro.net/info/current/doc/manual/node750.html *) MK00 http://www.molpro.net/info/current/doc/manual/node760.html *) MK00B http://www.molpro.net/info/current/doc/manual/node761.html *) Cancio & Chou Phys. Rev. B 74, 081202(R) (2006) *) tau-HTCH hybrids: *) 409: B97-1 revised ? *) 413: B88+B95? *) http://arxiv.org/abs/1205.4999 (versions of HSE) *) http://link.aip.org/link/doi/10.1063/1.3524336 (HSE_sol) *) doi:10.1021/ct800530u (LR-omegaPBE08) *) http://arxiv.org/abs/1211.0387 hybrid meta: *) pw6b95, pwb6k: JPCA 2005, 109, 5656 (the x part is simply pw91 gga with different constants) *) mpwb1k (51, 60, 66) *) mpw1b95 (51, 60, 66) *) pbe1kcis (37, 67-69) *) b1b95 (54, 60) *) tpsslyp1w (1w class of functionals) check also "local" hybrids? V. V. Karasiev, J. Mol. Struct. (THEOCHEM), 493, 21 (1999). V. V. Karasiev and E. V. LudeËna, Phys. Rev. A 65, 062510 (2002). V. V. Karasiev and E. V. LudeËna, Phys. Rev. A 65, 032515 (2002). 51: Adamo, C.; Barone, V. J. Chem. Phys. 1998, 108, 664. 66: Zhao, Y.; Truhlar, D. G. J. Phys. Chem. A 2004, 108, 6908. 38: Zhao, Y.; Truhlar, D. G. J. Phys. Chem. A, in press. 60: Becke, A. D. J. Chem. Phys. 1996, 104, 1040. 66: Zhao, Y.; Truhlar, D. G. J. Phys. Chem. A 2004, 108, 6908. 37: Zhao, Y.; Truhlar, D. G. J. Chem. Theory Comput., in press. 67: Rey, J.; Savin, A. Int. J. Quantum Chem. 1998, 69, 581. 68: Kreiger, J. B.; Chen, J.; Iafrate, G. J.; Savin, A. In Electronic Correlations and Materials Properties; Gonis, A., Kioussis, N., Eds; Plenum: New York, 1999; p 463. 69: Toulouse, J.; Savin, A.; Adamo, C. J. Chem. Phys. 2002, 117, 1441. 54: Becke, A. D. Phys. ReV. A 1988, 38, 3098.