References
- A.D. Becke, J. Chem. Phys. 98, 1372 (1993).
- A.D. Becke, J. Chem. Phys. 98, 5648 (1993).
- A.D. Becke, J. Chem. Phys. 140, 18A301 (2014).
- T.M. Henderson, B.G. Janesko, and G.E. Scuseria, J. Phys. Chem. A 112, 12530 (2008), and references therein.
- J. Jaramillo, G.E. Scuseria, and M. Ernzerhof, J. Chem. Phys. 118, 1068 (2003).
- H. Bahmann, A. Rodenberg, A.V. Arbuznikov, and M. Kaupp, J. Chem. Phys. 126, 011103 (2007).
- A.V. Arbuznikov and M. Kaupp, Chem. Phys. Lett. 440, 160 (2007).
- B.G. Janesko and G.E. Scuseria, J. Chem. Phys. 127, 164117 (2007).
- B.G. Janesko and G.E. Scuseria, J. Chem. Phys. 128, 084111 (2008).
- M. Kaupp, H. Bahmann, and A.V. Arbuznikov, J. Chem. Phys. 127, 194102 (2007).
- J.P. Perdew, V.N. Staroverov, J. Tao, and G.E. Scuseria, Phys. Rev. A 78, 052513 (2008).
- A.V. Arbuznikov, H. Bahmann, and M. Kaupp,J. Phys. Chem. A 113, 11898 (2009).
- K. Theilacker, A.V. Arbuznikov, H. Bahmann, and M. Kaupp, J. Phys. Chem. A 115, 8990 (2011).
- A.V. Arbuznikov and M. Kaupp, Int. J. Quantum Chem. 111, 2625 (2011).
- A.V. Arbuznikov and M. Kaupp, J. Chem. Phys. 136, 014111 (2012).
- E.R. Johnson, J. Chem. Phys. 141, 124120 (2014).
- T. Schmidt, E. Kraisler, A. Makmal, L. Kronik, and S. Kümmel, J. Chem. Phys. 140, 18A510 (2014).
- A.V. Arbuznikov and M. Kaupp, J. Chem. Phys. 141, 204101 (2014).
- P. de Silva and C. Corminboeuf, J. Chem. Phys. 142, 074112 (2015).
- H. Bahmann and M. Kaupp, J. Chem. Theor. Comput. 11, 1540 (2015).
- T.M. Maier, H. Bahmann, and M. Kaupp, J. Chem. Theor. Comput. 11, 4226 (2015).
- F.G. Cruz, K.-C. Lam, and K. Burke, J. Phys. Chem. A 102, 4911 (1998).
- K. Burke, F.G. Cruz, and K.-C. Lam, J. Chem. Phys. 109, 8161 (1998).
- J. Tao, V.N. Staroverov, G.E. Scuseria, and J.P. Perdew, Phys. Rev. A 77, 012509 (2008).
- S. Grimme, J. Antony, S. Ehrlich, and H. Krieg, J. Chem. Phys. 132, 154104 (2010).
- L. Goerigk and S. Grimme, J. Chem. Theor. Comput. 6, 107 (2010).
- L. Goerigk and S. Grimme, J. Chem. Theor. Comput. 7, 291 (2011).
- S.J. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. 58, 1200 (1980).
- J.P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992).
- J. Toulouse, A. Savin, and H.-J. Flad, Int. J. Quantum Chem. 100, 1047 (2004).
- A.D. Becke, Phys. Rev. A 38, 3098 (1988).
- C. Lee, W. Yang, and R.G. Parr, Phys. Rev. B 37, 785 (1988).
- B. Miehlich, A. Savin, H. Stoll, and H. Preuss, Chem. Phys. Lett. 157, 200 (1989).
- J.P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
- J.A. Pople, M. Head-Gordon, D.J. Fox, K. Raghavachari, and L.A. Curtiss, J. Chem. Phys. 90, 5622 (1989); L.A. Curtiss, C. Jones, G.W. Trucks, K. Raghavachari, and J.A. Pople, ibid. 93, 2537 (1990).
- L.A. Curtiss, K. Raghavachari, P.C. Redfern, and J.A. Pople, J. Chem. Phys. 106, 1063 (1997).
- Y. Zhao, B.J. Lynch, and D.G. Truhlar, Phys. Chem. Chem. Phys. 7, 43 (2005).
- Y. Zhao, N. González-García, and D.G. Truhlar, J. Phys. Chem. A 109, 2012 (2005).
- J.-D. Chai and M. Head-Gordon, Phys. Chem. Chem. Phys. 10, 6615 (2008).
- P. Jurecka, J. Sponer, J. Cerny, and P. Hobza, Phys. Chem. Chem. Phys. 8, 1985 (2008).
- T. Takatani, E.G. Hohenstein, M. Malagoli, M.S. Marshall, and C.D. Sherrill, J. Chem. Phys. 132, 144104 (2010).
- L. Goerigk and S. Grimme, Phys. Chem. Chem. Phys. 13, 6670 (2011).
- TURBOMOLE V6.4, a development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007; TURBOMOLE GmbH, since 2007, available from http://www.turbomole.com; R. Ahlrichs, M. Baer, M. Haeser, H. Horn, and C. Koelmel, Chem. Phys. Lett. 162, 165 (1989); O. Treutler and R. Ahlrichs, J. Chem. Phys. 102, 346 (1995).
- T.H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1998); D.E. Woon and T.H. Dunning, Jr., ibid. 98, 1358 (1993).
- P.J. Stephens, F.J. Devlin, C.F. Chabalowski, and M.J. Frisch, J. Phys. Chem. 98, 11623 (1994).
- A.D. Becke, J. Chem. Phys. 138, 074109 (2013).
- A.D. Becke and E.R. Johnson, J. Chem. Phys. 127, 124108 (2007).
- C. Adamo and V. Barone, J. Chem. Phys. 110, 6158 (1999).
- Y. Zhao and D.G. Truhlar, J. Phys. Chem. A 109, 5656 (2005).
- S. Kozuch, D. Gruzman, and J.M.L. Martin, J. Phys. Chem. C 114, 20801 (2010).
- Y. Zhao and D.G. Truhlar, Theor. Chem. Acc. 120, 215 (2008).
- S. Grimme, Angew. Chem. Int. Ed. 45, 4460 (2006).
- K. Theilacker, D. Buhrke, and M. Kaupp, J. Chem. Theor. Comput. 11, 111 (2015).