References
- M. Piris, Int. J. Quantum Chem. 106, 1093 (2006).
- M. Piris, X. Lopez, and J.M. Ugalde, J. Chem. Phys. 126, 214103 (2007).
- M. Piris, J.M. Matxain, X. Lopez, and J.M. Ugalde, J. Chem. Phys. 132, 031103 (2010).
- M. Piris, J.M. Matxain, X. Lopez, and J.M. Ugalde, J. Chem. Phys. 133, 111101 (2010).
- M. Piris, X. Lopez, F. Ruipérez, J.M. Matxain, and J.M. Ugalde, J. Chem. Phys. 134, 164102 (2011).
- M. Piris, Int. J. Quantum Chem. 113, 620 (2013).
- J.M. Matxain, M. Piris, F. Ruipérez, X. Lopez, and J.M. Ugalde, Phys. Chem. Chem. Phys. 13, 20129 (2011).
- M. Piris, J.M. Matxain, X. Lopez, and J.M. Ugalde, J. Chem. Phys. 136, 174116 (2012).
- X. Lopez, F. Ruipérez, M. Piris, J.M. Matxain, E. Matito, and J.M. Ugalde, J. Chem. Theory Comput. 8, 2646 (2012).
- F. Ruipérez, M. Piris, J.M. Ugalde, and J.M. Matxain, Phys. Chem. Chem. Phys. 15, 2055 (2013).
- J.M. Matxain, M. Piris, J. Uranga, X. Lopez, G. Merino, and J.M. Ugalde, ChemPhysChem 13, 2297 (2012).
- J.M. Matxain, M. Piris, J.M. Mercero, X. Lopez, and J.M. Ugalde, Chem. Phys. Lett. 531, 272 (2012).
- M. Piris, J.M. Matxain, X. Lopez, and J.M. Ugalde, Theor. Chem. Acc. 132, 1298 (2013).
- J.M. Matxain, F. Ruipérez, I. Infante, X. Lopez, J.M. Ugalde, G. Merino, and M. Piris, J. Chem. Phys. 138, 151102 (2013).
- M. Piris, Comput. Theor. Chem. 1003, 123 (2013).
- K. Pernal, Comput. Theor. Chem. 1003, 127 (2013).
- A.C. Hurley, J. Lennard-Jones, and J.A. Pople, Proc. R. Soc. London, Ser. A 220, 446 (1953).
- W. Kutzelnigg, J. Chem. Phys. 40, 3640 (1964).
- E. Kapuy, J. Chem. Phys. 44, 956 (1966).
- P.R. Surjan, editor, Topics in Current Chemistry (Springer-Verlag, Berlin, 1999), Vol. 203, pp. 63–88.
- W.A. Goddard III and R.C. Ladner, J. Am. Chem. Soc. 93, 6750 (1971).
- P.J. Hay, W.J. Hunt, and W.A. Goddard III, J. Am. Chem. Soc. 94, 8293 (1972).
- W.A. Goddard and A. Amos, Chem. Phys. Lett. 13, 30 (1972).
- W.J. Hunt, P.J. Hay, and W.A. Goddard III, J. Chem. Phys. 57, 738 (1972).
- J. Cullen, Chem. Phys. 202, 217 (1996).
- E.V. Ludeña, F.J. Torres, and C. Costa, J. Mod. Phys. 04, 391 (2013).
- V.A. Rassolov, J. Chem. Phys. 117, 5978 (2002).
- V.A. Rassolov and F. Xu, J. Chem. Phys. 127, 044104 (2007).
- A. Szabados, Z. Rolik, G. Toth, and P.R. Surjan, J. Chem. Phys. 122, 114104 (2005).
- M. Piris, J. Chem. Phys. 139, 064111 (2013).
- M. Piris, in Reduced-Density-Matrix Mechanics: With Applications to Many-Electron Atoms and Molecules, edited by D.A. Mazziotti (John Wiley & Sons, Hoboken, NJ, 2007), Chap. 14, pp. 387–427.
- T. Arai, J. Chem. Phys. 33, 95 (1960).
- E.R. Davidson, J. Chem. Phys. 57, 1999 (1972).
- E. Kapuy, F. Bartha, F. Bogar, and C. Kozmutza, Theor. Chim. Acta 72, 337 (1987).
- R.D. Johnson III, editor, NIST Computational Chemistry Comparison and Benchmark Database, NIST Standard Reference Database Number 101, Release 15b (2011). <http://cccbdb.nist.gov/>.
- M.W. Schmidt, K.K. Baldridge, J.A. Boatz, S.T. Elbert, M.S. Gordon, J.J. Jensen, S. Koseki, N. Matsunaga, K.A. Nguyen, S. Su, T.L. Windus, M. Dupuis, and J.A. Montgomery, J. Comput. Chem. 14, 1347 (1993).
- L.A. Curtiss, K. Raghavachari, P.C. Redfern, and J.A. Pople, J. Chem. Phys. 106, 1063 (1997).
- T.H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1989).
- M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery, Jr., J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, Ö. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski, and D.J. Fox, Gaussian 09 Revision A.1 (Gaussian Inc., Wallingford, CT, 2009).
- F. Aquilante, L. De Vico, N. Ferré, G. Ghigo, P. Malmqvist, P. Neogrády, T. Pedersen, M. Pitonák, M. Reiher, B. Roos, L. Serrano-Andrés, M. Urban, V. Veryazov, and R. Lindh, J. Comput. Chem. 31, 224 (2010).
- S.J. Grabowski and P. Lipkowski, J. Phys. Chem. A 115, 4765 (2011).
- G.J.O. Beran and M. Head-Gordon ( private communication, 2013).
- G.J.O. Beran, M. Head-Gordon, and S.R. Gwaltney, J. Chem. Phys. 124, 114107 (2006).