References
- R. Shepard, Adv. Chem. Phys. 69, 63 (1987).
- P.G. Szalay, T. Mueller, G. Gidofalvi, H. Lischka and R. Shepard, Chem. Rev. 112, 108–181 (2012). doi: 10.1021/cr200137a
- K. Ruedenberg, L.M. Cheung and S.T. Elbert, Int. J. Quantum Chem. 16, 1069 (1979). doi: 10.1002/qua.560160511
- A. Banerjee and F. Grein, J. Chem. Phys. 66, 1054 (1977). doi: 10.1063/1.434061
- E. Dalgaard and P. Jørgensen, J. Chem. Phys. 69, 3833 (1978). doi: 10.1063/1.437049
- H.-J. Werner, Adv. Chem. Phys. 69, 1 (1987).
- P. Siegbahn, A. Heiberg, B. Roos and B. Levy, Phys. Scr. 21, 323 (1980). doi: 10.1088/0031-8949/21/3-4/014
- B.H. Lengsfield, J. Chem. Phys. 73, 382 (1980). doi: 10.1063/1.439885
- J. Olsen, D.L. Yeager and P. Jørgensen, Adv. Chem. Phys. 54, 1 (1983).
- M.W. Schmidt and M.S. Gordon, Ann. Rev. Phys. Chem. 49, 233 (1998). doi: 10.1146/annurev.physchem.49.1.233
- K.D. Vogiatzis, D. Ma, J. Olsen, L. Gagliardi and W.A. de Jong, J. Chem. Phys. 147, 184111 (2017). doi: 10.1063/1.4989858
- H.-J. Werner and E.-A. Reinsch, J. Chem. Phys. 76, 3144 (1982). doi: 10.1063/1.443357
- L.B. Harding, S.J. Klippenstein, H. Lischka and R. Shepard, Theor. Chem. Acc. 133, 1429 (2014). doi: 10.1007/s00214-013-1429-6
- H. Lischka, T. Müller, P.G. Szalay, I. Shavitt, R.M. Pitzer and R. Shepard, WIREs Comput. Mol. Sci. 1, 191 (2011). doi: 10.1002/wcms.25
- Recent Advances in Multireference Methods, edited by K. Hirao (World Scientific, Singapore, 1999).
- E.R. Davidson and A.A. Jarzecki, in Recent Advances in Multireference Methods, edited by K. Hirao (World Scientific, Singapore, 1999). pp. 31–63.
- I. Shavitt and R.J. Bartlett, Many-Body Methods in Chemistry and Physics: MBPT and Coupled-Cluster Theory (Cambridge University Press, Cambridge, 2009).
- B.O. Roos, K. Andersson, M.P. Fülscher, P.-A. Malmqvist and L. Serrano-Andres, Adv. Chem. Phys. 93, 219 (1996).
- S.J. Stoneburner, J. Shen, A.O. Ajala, P. Piecuch, D.G. Truhlar and L. Gagliardi, J. Chem. Phys. 147, 164120 (2017). doi: 10.1063/1.4998256
- F. Aquilante, et al., J. Comp. Chem. 37, 506–541 (2016). doi: 10.1002/jcc.24221
- R. Shepard, G. Gidofalvi and S.R. Brozell, J. Chem. Phys. 141, 064105 (2014). doi: 10.1063/1.4890734
- M. Saitow, Y. Kurashige and T. Yanai, J. Chem. Phys. 139, 044118 (2013). doi: 10.1063/1.4816627
- K. Boguslawski, P. Tecmer, G. Barcza, O. Legeza and M. Reiher, J. Chem. Theory Comput. 9, 2959 (2013). doi: 10.1021/ct400247p
- G.K.-L. Chan and S. Sharma, Ann. Rev. Phys. Chem. 62, 465 (2011). doi: 10.1146/annurev-physchem-032210-103338
- D. Zgid and M. Nooijen, J. Chem. Phys. 128, 014107 (2008). doi: 10.1063/1.2814150
- D.L. Lyakh, M. Musial, V.F. Lotrich and R.J. Bartlett, Chem. Rev. 112, 182–243 (2012). doi: 10.1021/cr2001417
- D.A. Mazziotti, Chem. Rev. 112, 244–262 (2012). doi: 10.1021/cr2000493
- T. Yanai and G.K.-L. Chan, J. Chem. Phys. 124, 194106 (2006). doi: 10.1063/1.2196410
- T. Yanai and G.K.-L. Chan, J. Chem. Phys. 127, 104107 (2007). doi: 10.1063/1.2761870
- R.M. Pitzer, “Energy Expressions, Open-Shell Energy Coefficients”, OSU-TCG Rep. No. 101. https://www.univie.ac.at/columbus/docs_COL70/fulldoc/scfpq/rpt101.html.
- R.M. Pitzer, Comp. Phys. Comm. 170, 239 (2005). doi: 10.1016/j.cpc.2005.04.003
- C.C.J. Roothaan, Rev. Mod. Phys. 32, 179 (1960). doi: 10.1103/RevModPhys.32.179
- R. McWeeny, Mol. Phys. 28, 1273 (1974). doi: 10.1080/00268977400102581
- H.J.A. Jensen, Private Communication, February, 2019.
- J. Thyssen, “Development and Applications of Methods for Correlated Relativistic Calculations of Molecular Properties”, Thesis, University of Southern Denmark, Odense, DK, (2001).
- I. Shavitt, in The Unitary Group for the Evaluation of Electronic Energy Matrix Elements (Lecture Notes in Chemistry 22), edited by J. Hinze (Springer-Verlag, Berlin, 1981). pp. 51–99.
- R. Shepard, J. Phys. Chem. A. 110, 8880–8892 (2006). doi: 10.1021/jp060336g
- I. Shavitt, Int. J. Quanum Chem. S11, 131 (1977).
- R. Shepard, in Modern Electronic Structure Theory Part I, edited by D.R. Yarkony (World Scientific, Singapore, 1995). pp. 345–458.
- R. Shepard, G.S. Kedziora, H. Lischka, I. Shavitt, T. Müller, P.G. Szalay, M. Kállay and M. Seth, Chem. Phys. 349, 37–57 (2008). doi: 10.1016/j.chemphys.2008.03.009
- C. Edmiston and K. Ruedenberg, Rev. Mod. Phys. 35, 457 (1963). doi: 10.1103/RevModPhys.35.457
- J. Olsen, B.O. Roos, P. Jørgensen and H.J.A. Jensen, J. Chem. Phys. 89, 2185 (1988). doi: 10.1063/1.455063
- J. Olsen, P. Jørgensen and J. Simons, J. Chem. Phys. Lett. 169, 463 (1990). doi: 10.1016/0009-2614(90)85633-N
- J. Ivanic, J. Chem. Phys. 119, 9364 (2003). doi: 10.1063/1.1615954
- S.R. Brozell, R. Shepard and G. Gidofalvi, Manuscript in Preparation.
- H. Lischka, M. Dallos and R. Shepard, Mol. Phys. 100, 1647 (2002). doi: 10.1080/00268970210155121
- N.C. Handy and H.F. Schaefer III, J. Chem. Phys. 81, 5031 (1984). doi: 10.1063/1.447489
- M. Barbatti, R. Shepard and H. Lischka, in Conical Intersections: Theory, Computation and Experiment, edited by W. Domcke, D.R. Yarkony, H. Köppel, Advanced Series in Physical Chemistry, 17 (World Scientific, Singapore, 2011). pp. 415–462.
- G. Gidofalvi and R. Shepard, Int. J. Quantum Chem. 109, 3552–3563 (2009). doi: 10.1002/qua.22320
- G. Gidofalvi, S.R. Brozell and R. Shepard, Theor. Chem. Acc. 133, 1512 (2014). doi: 10.1007/s00214-014-1512-7
- J. Paldus, J. Chem. Phys. 61, 5321 (1974). doi: 10.1063/1.1681883
- J. Paldus, in The Unitary Group for the Evaluation of Electronic Energy Matrix Elements (Lecture Notes in Chemistry 22), edited by J. Hinze (Springer-Verlag, Berlin, 1981). pp. 1–50.
- R. Shepard and M. Minkoff, Int. J. Quantum Chem. 106, 3190 (2006). doi: 10.1002/qua.21140
- I. Shavitt, Private Communication, January, 1983.