References
- E.E. Ferguson, Rev. Geophys. 5, 305 (1962); H. Liu, D. Shi, S. Wang, J. Sun and Z. Zhu, J. Quant. Spectrosc. Radiat. Transfer. 147, 207 (2014). doi: 10.1029/RG005i003p00305
- D. Mukherjee, R.K. Moitra and A. Mukhopadhay, Mol. Phys. 30, 1861 (1975); A. Mukhopadhyay, R.K. Moitra and D. Mukherjee, J. Phys. B: At. Mol. Phys. 12, 1 (1979); D. Mukherjee, R.K. Moitra and A. Mukhopadhay, Mol. Phys. 33, 955 (1977). doi: 10.1080/00268977500103351
- D. Mukherjee, Pramana 12, 203 (1979). doi: 10.1007/BF02846388
- I. Lindgren, Int. J. Quantum Chem. S12, 2953 (1978).
- D. Mukherjee, Chem. Phys. Lett. 125, 207 (1986). doi: 10.1016/0009-2614(86)87050-6
- S. Pal, M. Rittby, R.J. Bartlett, D. Sinha and D. Mukherjee, Chem. Phys. Lett. 137, 273 (1987). doi: 10.1016/0009-2614(87)80218-X
- S. Pal, M. Rittby, R.J. Bartlett, D. Sinha and D. Mukherjee, J. Chem. Phys. 88, 4357 (1988). doi: 10.1063/1.453795
- M. Rittby, S. Pal and R.J. Bartlett, J. Chem. Phys. 90, 3214 (1989). doi: 10.1063/1.455873
- Y. Sajeev, M.K. Mishra, N. Vaval and S. Pal, J. Chem. Phys. 120, 67 (2004); Y. Sajeev and S. Pal, Mol. Phys. 103, 2267 (2005). doi: 10.1063/1.1630025
- For a review on multireference CC methods and particularly the FSCC approach, see I. Lindgren and D. Mukherjee, Phys. Rep. 151, 93 (1987); D. Mukherjee and S. Pal, Adv. Quantum Chem. 20, 292 (1989); U. Kaldor, Theor. Chim. Acta 80, 427 (1991); U. Kaldor and E. Eliav, Adv. Quantum Chem. 31, 313 (1998).
- M. Musiał, K. Kowalska-Szojda, D.I. Lyakh and R.J. Bartlett, J. Chem. Phys. 138, 194103 (2013); M. Musiał and S.A. Kucharski, J. Chem. Theory Comput. 10, 1200 (2014). doi: 10.1063/1.4804164
- D. Sinha, S.K. Mukhopadhyay, R. Chaudhuri and D. Mukherjee, Chem. Phys. Lett. 154, 544 (1989). doi: 10.1016/0009-2614(89)87149-0
- D. Mukhopadhyay, S. Mukhopadhyay, R. Chaudhuri and D. Mukherjee, Theor. Chem. Act. 80, 441 (1991). doi: 10.1007/BF01119665
- H. Sekino and R.J. Bartlett, Int. J. Quantum Chem., Quantum Chem. Symp. 18, 255 (1984); J.F. Stanton and R.J. Bartlett, J. Chem. Phys. 98, 7029 (1993). doi: 10.1002/qua.560260826
- J.F. Stanton and J. Gauss, J. Chem. Phys. 100, 4695 (1994); J.F. Stanton and J. Gauss, J. Chem. Phys. 103, 88931 (1995); X. Feng, E. Epifanovsky, J. Gauss and A.I. Krylov, J. Chem. Phys. 151, 014110 (2019). doi: 10.1063/1.466253
- J.F. Stanton and J. Gauss, J. Chem. Phys. 101, 8938 (1994). doi: 10.1063/1.468022
- J.F. Stanton and J. Gauss, Adv. Chem. Phys. 125, 101 (2003).
- P. Piecuch, K. Kowalski, I.S.O. Pimienta and M.J. McGuire, Int. Rev. Phys. Chem. 21, 527 (2002). doi: 10.1080/0144235021000053811
- K. Kowalski and P. Piecuch, J. Chem. Phys. 115, 643 (2001). doi: 10.1063/1.1378323
- J. Shen and P. Piecuch, J. Chem. Phys. 138, 194102 (2013).
- J. Shen and P. Piecuch, Mol. Phys. 112, 868 (2014). doi: 10.1080/00268976.2014.886397
- M. Nooijen and R.J. Bartlett, J. Chem. Phys. 102, 3629 (1995); M. Nooijen and R.J. Bartlett, J. Chem. Phys. 107, 6812 (1997); L. Kong, K.R. Shamasundar, O. Demel and M. Nooijen, J. Chem. Phys. 130, 114101 (2009). doi: 10.1063/1.468592
- S.V. Levchenko and A.I. Krylov, J. Chem. Phys. 120, 175 (2004); A.I. Krylov, Annu. Rev. Phys. Chem. 59, 433 (2008); A.I. Krylov, in The quantum chemistry of open-shell species, in Reviews in Computational Chemistry, edited by A.L. Parrill and K.B. Lipkowitz (John Wiley and Sons, 2017), Vol. 30, Chap. 4, pp. 151–224. doi: 10.1063/1.1630018
- M. Musiał and R.J. Bartlett, J. Chem. Phys. 133, 104102 (2010). doi: 10.1063/1.3475569
- L. Meissner, Chem. Phys. 401, 136 (2012); L. Meissner and M. Musiał, in Recent Progress in Coupled Cluster Methods, edited by P. Čársky, J. Paldus and J. Pittner (Springer, Berlin, 2010). doi: 10.1016/j.chemphys.2011.09.012
- S. Hirata, J. Chem. Phys. 121, 51 (2004); M. Kamiya and S. Hirata, J. Chem. Phys. 126, 134112 (2007). doi: 10.1063/1.1753556
- M. Kamiya and S. Hirata, J. Chem. Phys. 125, 074111 (2006). doi: 10.1063/1.2244570
- A. Ghosh, N. Vaval and S. Pal, J. Chem. Phys. 136, 234110 (2012); A. Ghosh, N. Vaval, S. Pal and R.J. Bartlett, J. Chem. Phys. 141, 164113 (2014); Y. Shao, E. Sundstrom, M.H. Gordon and A.I. Krylov, J. Chem. Phys. 141, 024102 (2014).
- I. Shavitt and R.J. Bartlett, Many Body Methods in Chemistry and Physics: Many Body Perturbation Theory and Coupled Cluster Methods (Cambridge Press, New York, 2009).
- A.E. Kondo, P. Piecuch and J. Paldus, J. Chem. Phys. 102, 6511 (1995). doi: 10.1063/1.469365
- D. Mukherjee and P.K. Mukherjee, Chem. Phys. 39, 325 (1979); B. Datta, P. Sen and D. Mukherjee, J. Phys. Chem. 99, 6441 (1995). doi: 10.1016/0301-0104(79)80153-6
- A.E. Kondo, P. Piecuch and J. Paldus, J. Chem. Phys. 102, 6511 (1995); P. Piecuch and J. Paldus, J. Chem. Phys. 101, 5875 (1994). doi: 10.1063/1.469365
- K.W. Sattelmeyer, J.F. Stanton, J. Olsen and J. Gauss, Chem. Phys. Lett. 347, 499 (2001). doi: 10.1016/S0009-2614(01)01013-2
- J.D. Watts, in Radiation Induced Molecular Phenomena in Nucleic Acids: Challenges and Advances In Computational Chemistry and Physics, Vol. 5; edited by M.K. Shukla and J. Leszczynski (Springer, Dordrecht, Netherlands, 2008), pp. 65–92; T.D. Crawford and H. Sekino, in Advances in the Theory of Atomic and Molecular Systems, Progress in Theoretical Chemistry and Physics, edited by P. Piecuch, et al., (Springer Science, Dordrecht, Netherlands, 2009), pp. 225–239.
- H. Nakatsuji and K. Hirao, J. Chem. Phys. 68, 2953 (1978).
- M. Ehara and H. Nakatsuji, Chem. Phys. Lett. 282, 347 (1998). doi: 10.1016/S0009-2614(97)01278-5
- J.R. Gour, P. Piecuch and M. Włoch, J. Chem. Phys. 123, 134113 (2005); J.R. Gour, P. Piecuch and M. Włoch, Int. J. Quantum Chem. 106, 2854 (2006); J.R. Gour and P. Piecuch, J. Chem. Phys. 125, 234107 (2006). doi: 10.1063/1.2042452
- M. Musiał and R.J. Bartlett, J. Chem. Phys. 119, 1901 (2003); M. Musiał, M. Olszówka, D.I. Lyakh and R.J. Bartlett, J. Chem. Phys. 137, 174102 (2012). doi: 10.1063/1.1584657
- M.M. Musiał, S.A. Kucharski and R.J. Bartlett, J. Chem. Phys. 118, 1128 (2003). doi: 10.1063/1.1527013
- J.C. Saeh and J.F. Stanton, J. Chem. Phys. 111, 8275 (1999); Y.J. Bomble, J.C. Saeh, J.F. Stanton, P.G. Szalay, M. Kállay and J. Gauss, J. Chem. Phys. 122, 154107 (2005). doi: 10.1063/1.480171
- M. Kállay and J. Gauss, J. Chem. Phys. 121, 9257 (2004); Y.J. Bomble, J.C. Saeh, J.F. Stanton, P.G. Szalay, M. Kállay and J. Gauss, J. Chem. Phys. 122, 154107 (2005). doi: 10.1063/1.1805494
- J.F. Stanton and J. Gauss, Theor. Chim. Acta 93, 303 (1996). doi: 10.1007/BF01127508
- S. Hirata, M. Nooijen and R.J. Bartlett, Chem. Phys. Lett. 326, 255 (2000); S. Hirata, M. Nooijen, I. Grabowski and R.J. Bartlett, J. Chem. Phys. 114, 3919 (2001); P.D. Fan, M. Kamyia and S. Hirata, J. Chem. Theory Comput. 3, 1036 (2007). doi: 10.1016/S0009-2614(00)00772-7
- P.A. Pieniazek, S.E. Bradforth and A.I. Krylov, J. Chem. Phys. 129, 074104 (2008). doi: 10.1063/1.2969107
- P.U. Manohar, J.F. Stanton and A.I. Krylov, J. Chem. Phys. 131, 114112 (2009). doi: 10.1063/1.3231133
- D.A. Matthews and J.F. Stanton, J. Chem. Phys. 145, 124102 (2016). doi: 10.1063/1.4962910
- J.H. Baraban, D.A. Matthews and J.F. Stanton, J. Chem. Phys. 144, 111102 (2016). doi: 10.1063/1.4943865
- J.J. Eriksen, K. Kristensen, T. Kjærgaard, P. Jørgensen and J. Gauss, J. Chem. Phys. 140, 064108 (2014); J.J. Eriksen, P. Jørgensen, J. Olsen and J. Gauss, J. Chem. Phys. 140, 174114 (2014).
- J. Paldus, L. Pylypow and B. Jeziorski, in Many-Body Methods in Quantum Chemistry (Springer, Berlin, 1989), Vol. 52; J. Paldus, P. Piecuch, B. Jeziorski and L. Pylypow, in Recent Progress in Many-Body Theories (Plenum, New York, 1992), Vol. 3; L. Meissner, Chem. Phys. Lett. 255, 244 (1996); K. Kowalski and P. Piecuch, Phys. Rev. A 61, 052506 (2000); K. Kowalski and P. Piecuch, Int. J. Quantum Chem. 80, 757 (2000); L. Meissner, Mol. Phys. 108, 22961 (2010).
- J.P. Malrieu, P. Durand and J.P. Daudey, J. Phys. A 18, 809 (1985); P. Durand and J.P. Malrieu, Adv. Chem. Phys. 67, 412 (1987). doi: 10.1088/0305-4470/18/5/014
- T. Schucan and H.A. Weidenmuller, Ann. Phys. 76, 483 (1973). doi: 10.1016/0003-4916(73)90044-4
- J.A.R. Coope and D.W. Sabo, J. Comput. Phys. 23, 44 (1977). doi: 10.1016/0021-9991(77)90071-7
- D. Mukhopadhyay, B. Datta and D. Mukherjee, Chem. Phys. Lett. 197, 236 (1992). doi: 10.1016/0009-2614(92)85761-X
- L. Meissner and R.J. Bartlett, J. Chem. Phys. 102, 7490 (1995); L. Meissner, J. Chem. Phys. 108, 9227 (1998); L. Meissner and P. Malinowski, Phys. Rev. A. 61, 062510 (2000); M. Musiał and L. Meissner, Collect. Czech. Chem. Commun. 70, 811 (2005). doi: 10.1063/1.469080
- A. Mitra, U.S. Mahapatra, D. Majumder and D. Sinha, J. Phys. Chem A. 102, 7277 (1998). doi: 10.1021/jp972116w
- S. Chattopadhyay, A. Mitra, D. Jana, P. Ghosh and D. Sinha, Chem. Phys. Lett. 361, 298 (2002). doi: 10.1016/S0009-2614(02)00974-0
- S. Chattopadhyay, A. Mitra and D. Sinha, J. Chem. Phys. 125, 244111 (2006). doi: 10.1063/1.2403858
- K. Adhikari, S. Chattopadhyaya, R.K. Nath, B.K. De and D. Sinha, Chem. Phys. Lett. 474, 199 (2009). doi: 10.1016/j.cplett.2009.04.012
- K. Adhikari, S. Chattopadhyaya, B.K. De, A. Sharma, R.K. Nath and D. Sinha, J. Comp. Chem. 34, 1291 (2013). doi: 10.1002/jcc.23255
- A. Sharma, S. Chattopadhyaya, K. Adhikari and D. Sinha, Chem. Phys. Lett. 634, 88 (2015). doi: 10.1016/j.cplett.2015.05.032
- M. Musiał, L. Meissner, S.A. Kucharski and R.J. Bartlett, J. Chem. Phys. 122, 224110 (2005).
- M. Musiał and R.J. Bartlett, J. Chem. Phys. 129, 044101 (2008); Chem. Phys. Lett. 457, 267 (2008); J. Chem. Phys. 129, 244111 (2008).
- A. Landau, E. Eliav and U. Kaldor, Ibid. 313, 399 (1999); A. Landau, E. Eliav, Y. Ishikawa and U. Kaldor, J. Chem. Phys. 113, 9905 (2000); A. Landau, E. Eliav and U. Kaldor, Adv. Quantum Chem. 39, 171 (2001).
- M. Musiał and R.J. Bartlett, J. Chem. Phys. 129, 134105 (2008).
- J. Noga and R.J. Bartlett, Chem. Phys. Lett. 134, 25 (1987); J. Noga, R.J. Bartlett and M. Urban, Chem. Phys. Lett. 134, 126 (1987); G.W. Trucks, J. Noga and R.J. Bartlett, Chem. Phys. Lett. 145, 548 (1988). doi: 10.1016/0009-2614(87)87107-5
- K. Jankowski, J. Paidus, I. Grabowski and K. Kowalski, J. Chem. Phys. 101, 3085 (1994). doi: 10.1063/1.467621
- M. Musiał, L. Meissner and J. Cembrzynska, J. Chem. Phys. 151, 184102 (2019). doi: 10.1063/1.5124806
- Y.S. Lee, S.A. Kucharskii and R.J. Bartlett, J. Chem. Phys. 81, 5906 (1984). doi: 10.1063/1.447591
- L.S. Cederbaum, W. Domcke, J. Schirmer and W. von Niessen, Adv. Chem. Phys. 65, 115 (1986).
- K. Hirao and H. Nakatsuji, J. Comput. Phys. 45, 246 (1982). doi: 10.1016/0021-9991(82)90119-X
- S. Rettrup, J. Comput. Phys. 45, 100 (1982). doi: 10.1016/0021-9991(82)90104-8
- See www.emsl.pnl.gov/forms/basisform.html. K.L. Schuchardt, B.T. Didier, T. Elsethagen, L. Sun, V. Gurumoorthi, J. Chase, J. Li and T. Windus, J. Chem. Inf. Model. 47 1045 (2007) and references therein.
- X. Li and J. Paldus, Mol. Phys. 16, 1185 (2000). doi: 10.1080/00268970050080546
- K. Raghavachari, J. Chem. Phys. 82, 4142 (1985). doi: 10.1063/1.448856
- J.R. Flores, K. Jankowski and R. Slupski, Mol. Phys. 98, 1125 (2000). doi: 10.1080/00268970050080492
- R. Krishnan, M.J Frisch and J.A. Pople, J. Chem. Phys. 72, 4244 (1980). doi: 10.1063/1.439657
- K.P. Huber and G. Herzberg, in Molecular Spectra and Molecular Structure IV. Constants of Diatomic Molecule (Van Nostrand Reinhold Company, New York, 1979); S. Svensson, M. Carlsson-Göthe, L. Karlsson, A. Nilsson, N. Martensson and U. Gelius, Phys. Scr. 44, 184 (1991).
- S. Krummacher, V. Schmidt and F. Wuilleumier, J. Phys. B13, 3993 (1980).
- R. Polák and J.A. Fišer, Chem. Phys. 290, 177 (2003). doi: 10.1016/S0301-0104(03)00138-1
- T.J. School, R.A. Holt and S.D. Rosner, J. Mol. Spectrosc. 192, 424 (1998). doi: 10.1006/jmsp.1998.7710
- B. Peng and K. Kowalski, J. Chem. Phys. 149, 214102 (2018).
- B. Peng and K. Kowalski, J. Chem. Theory Comput. 14, 4335 (2018). doi: 10.1021/acs.jctc.8b00313
- J.F. Stanton and J. Gauss, J. Chem. Phys. 111, 8785 (1999). doi: 10.1063/1.479673