References
- B. Kozma, A. Tajti, B. Demoulin, R. Izsák, M. Nooijen and P.G. Szalay, A new benchmark set for excitation energy of charge transfer states: Systematic investigation of coupled-cluster type methods. J. Chem. Theory Comput. 16 (2020). doi: 10.1021/acs.jctc.0c00154
- A. Dreuw, J.L. Weisman and M. Head-Gordon, J. Chem. Phys. 119 (6), 2943–2946 (2003).
- A. Dreuw and M. Head-Gordon, Chem. Rev. 105 (11), 4009–4037 (2005).
- Y. Zhao and D.G. Truhlar, J. Phys. Chem. A 110 (49), 13126–13130 (2006).
- A.K. Dutta, M. Nooijen, F. Neese and R. Izsák, J. Chem. Theory Comput. 14 (1), 72–91 (2017).
- D. Mester, P.R. Nagy and M. Kállay, J. Chem. Phys. 146 (19), 194102 (2017).
- M. Nooijen and R.J. Bartlett, J. Chem. Phys. 107 (17), 6812–6830 (1997).
- G.D. Purvis III and R.J. Bartlett, J. Chem. Phys. 76 (4), 1910–1918 (1982).
- H. Sekino and R.J. Bartlett, Int. J. Quantum Chem. S18, 255–265 (1984).
- J.F. Stanton and R.J. Bartlett, J. Chem. Phys. 98 (9), 7029–7039 (1993).
- D.C. Comeau and R.J. Bartlett, Chem. Phys. Lett. 207 (4–6), 414–423 (1993).
- H. Koch and P. Jørgensen, J. Chem. Phys. 93 (5), 3333 (1990).
- H. Koch, H.J.A. Jensen, P. Jørgensen and T. Helgaker, J. Chem. Phys. 93 (5), 3345–3350 (1990).
- O. Christiansen, H. Koch and P. Jørgensen, Chem. Phys. Lett. 243 (5–6), 409–418 (1995).
- J.F. Stanton and J. Gauss, J. Chem. Phys. 103 (3), 1064–1076 (1995).
- S.R. Gwaltney, M. Nooijen and R.J. Bartlett, Chem. Phys. Lett. 248 (3–4), 189–198 (1996).
- M. Nooijen and R.J. Bartlett, J. Chem. Phys. 106 (15), 6441–6448 (1997).
- M. Nooijen and R.J. Bartlett, J. Chem. Phys. 106 (15), 6449–6455 (1997).
- R. Izsák, WIREs Comput. Mol. Sci. 10, e1445 (2020).
- S.A. Kucharski, M. Wloch, M. Musial and R.J. Bartlett, J. Chem. Phys. 115 (18), 8263–8266 (2001).
- J.D. Watts and R.J. Bartlett, Chem. Phys. Lett. 258 (5–6), 581–588 (1996).
- O. Christiansen, H. Koch and P. Jørgensen, J. Chem. Phys. 103 (17), 7429–7441 (1995).
- D.A. Matthews and J.F. Stanton, J. Chem. Phys. 145 (12), 124102 (2016).
- J.F. Stanton and J. Gauss, J. Chem. Phys. 111 (19), 8785–8788 (1999).
- J.F. Stanton, J. Gauss, L. Cheng, M.E. Harding, D.A. Matthews and P.G. Szalay, CFOUR, Coupled Cluster techniques for Computational Chemistry, a quantum-chemical program package with contributions from A.A. Auer, R.J. Bartlett, U. Benedikt, C. Berger, D.E. Bernholdt, Y.J. Bomble, O. Christiansen, F. Engel, R. Faber, M. Heckert, O. Heun, M. Hilgenberg, C. Huber, T.-C. Jagau, D. Jonsson, J. Jusélius, T. Kirsch, K. Klein, W.J. Lauderdale, F. Lipparini, T. Metzroth, L.A. Mück, D.P. O'Neill, D.R. Price, E. Prochnow, C. Puzzarini, K. Ruud, F. Schiffmann, W. Schwalbach, C. Simmons, S. Stopkowicz, A. Tajti, J. Vázquez, F. Wang, J.D. Watts and the integral packages MOLECULE (J. Almlöf and P.R. Taylor), PROPS (P.R. Taylor), ABACUS (T. Helgaker, H.J. Aa. Jensen, P. Jørgensen, and J. Olsen), and ECP routines by A. V. Mitin, C. van Wüllen, and M. E. Harding. For the current version, see <http://www.cfour.de>.
- D.A. Matthews, L. Cheng, F. Lipparini, S. Stopkowich, T.-C. Jagau, P.G. Szalay, J.F. Stanton and J. Gauss, J. Chem. Phys. 152, 214108 (2020).
- F. Neese, WIREs Computational Molecular Science 8 (1), e1327 (2018).
- A.K. Dutta, M. Nooijen, F. Neese and R. Izsák, J. Chem. Phys. 146, 074103 (2017).
- T.H. Dunning, Jr., J. Chem. Phys. 90 (2), 1007–1023 (1989).
- F. Plasser and H. Lischka, J. Chem. Theory Comput. 8 (8), 2777–2789 (2012).
- F. Plasser, M. Wormit and A. Dreuw, J. Chem. Phys. 141 (2), 024106 (2014).
- F. Plasser, J. Chem. Phys. 152, 084108 (2020).
- F. Plasser, M. Wormit, S.A. Mewes, B. Thomitzni and A. Dreuw, LIBWFA: Wave-function analysis tool library for quantum chemical applications. <https://github.com/libwfa/libwfa>.
- F. Plasser, B. Thomitzni, S.A. Bäppler, J. Wenzel, D.R. Rehn, M. Wormit and A. Dreuw, J. Comp. Chem. 36 (21), 1609–1620 (2015).
- L. Meissner and R.J. Bartlett, J. Chem. Phys. 102 (19), 7490–7498 (1995).
- L. Meissner and R.J. Bartlett, J. Chem. Phys. 94 (10), 6670–6676 (1991).
- A. Tajti and P.G. Szalay, J. Chem. Theory Comput. 12, 5477–5482 (2016).
- D. Kánnár and P.G. Szalay, J. Chem. Theory Comput. 10 (9), 3757–3765 (2014).
- R. Berraud-Pache, F. Neese, G. Bistoni and R. Izsák, J. Chem. Theory Comput. 16, 564–575 (2020).
- D. Kánnár, A. Tajti and P.G. Szalay, J. Chem. Theory Comput. 13, 202–209 (2017).