References
- G.C. Schatz, Rev. Mod. Phys. 61, 669 (1989).10.1103/RevModPhys.61.669
- J.N. Murrell, S. Carter, S.C. Farantos, P. Huxley, and A.J.C. Varandas, Molecular Potential Energy Functions (Wiley, Chichester, 1984).
- B.J. Braams, and J.M. Bowman, Int. Rev. Phys. Chem. 28, 577 (2009).10.1080/01442350903234923
- C.A. Mead, in Mathematical Frontiers in Computational Chemical Physics, edited by D.G. Truhlar (Springer-Verlag, New York, 1988).
- D.R. Yarkony, Chem. Rev. 112, 481 (2012).10.1021/cr2001299
- S. Matsika, and P. Krause, Annu. Rev. Phys. Chem. 62, 621 (2011).10.1146/annurev-physchem-032210-103450
- W. Domcke, D.R. Yarkony, and H. Köppel, Conical Intersections: Electronic Structure, Dynamics and Spectroscopy, Vol. 15 (World Scientific, New Jersey, NJ, 2004).10.1142/ASPC
- M.H. Alexander, H.-J. Werner, and D.E. Manolopoulos, J. Chem. Phys. 109, 5710 (1998).10.1063/1.477192
- F. Lique, M.H. Alexander, G. Li, H.J. Werner, S.A. Nizkorodov, W.W. Harper, and D.J. Nesbitt, J. Chem. Phys. 128, 084313 (2008).10.1063/1.2831412
- S. Nyambo, C. Karshenas, S.A. Reid, P. Lolur, and R. Dawes, J. Chem. Phys. 142, 214304 (2015).10.1063/1.4921466
- K. Dressler, and D.A. Ramsay, J. Chem. Phys. 27, 971 (1957).10.1063/1.1743893
- R.N. Dixon, Mol. Phys. 54, 333 (1985).10.1080/00268978500100271
- E.M. Goldfield, S.K. Gray, and L.B. Harding, J. Chem. Phys. 99, 5812 (1993).10.1063/1.465933
- S.Y. Lin, H. Guo, B. Jiang, S. Zhou, and D. Xie, J. Phys. Chem. A. 114, 9655 (2010).10.1021/jp100976g
- S. Zhou, Z. Li, D. Xie, S.Y. Lin, and H. Guo, J. Chem. Phys. 130, 184307 (2009).10.1063/1.3125511
- A.W. Jasper, B.K. Kendrick, C.A. Mead, and D.G. Truhlar, in Modern Trends in Chemical Reaction Dynamics: Experiment and Theory, Vol. 1, edited by X. Yang and K. Liu (World Scientific, Singapore, 2004), pp. 329–391.
- A. Gonzalez-Lafont, T.N. Truong, and D.G. Truhlar, J. Phys. Chem. 95, 4618 (1991).10.1021/j100165a009
- C. Doubleday Jr., K. Bolton, G.H. Peslherbe, and W.L. Hase, J. Am. Chem. Soc. 118, 9922 (1996).10.1021/ja962434t
- W.L. Hase, K. Kihyung Song, and M.S. Gordon, Comput. Sci. Eng. 5, 36 (2003).10.1109/MCISE.2003.1208640
- G.A. Worth, M.A. Robb, and B. Lasorne, Mol. Phys. 106, 2077 (2008).10.1080/00268970802172503
- M.J. Bramley, and T. Carrington Jr., J. Chem. Phys. 99, 8519 (1993).10.1063/1.465576
- G. Ma, R. Chen, and H. Guo, J. Chem. Phys. 110, 8408 (1999).10.1063/1.478749
- R. Chen, G. Ma, and H. Guo, J. Chem. Phys. 114, 4763 (2001).10.1063/1.1348274
- J.M. Bowman, T. Carrington, and H.-D. Meyer, Mol. Phys. 106, 2145 (2008).10.1080/00268970802258609
- D. Neuhauser, M. Baer, R.S. Judson, and D.J. Kouri, Comput. Phys. Commun. 63, 460 (1991).10.1016/0010-4655(91)90270-U
- U. Manthe, and A.D. Dell Hammerich, Chem. Phys. Lett. 211, 7 (1993).10.1016/0009-2614(93)80043-O
- J. Mayneris, M. González, and S.K. Gray, Comput. Phys. Commun. 179, 741 (2008).10.1016/j.cpc.2008.09.005
- G.C. Schatz, J. Chem. Phys. 74, 1133 (1981).10.1063/1.441220
- D.L. Thompson, J. Chem. Phys. 56, 3570 (1972).10.1063/1.1677733
- N. Sathyamurthy, and L.M. Raff, J. Chem. Phys. 63, 464 (1975).10.1063/1.431126
- X.G. Wang, and T. Carrington Jr., J. Chem. Phys. 129, 234102 (2008).10.1063/1.3027825
- J. Wang, R.M. Wolf, J.W. Caldwell, P.A. Kollman, and D.A. Case, J. Comput. Chem. 25, 1157 (2004).10.1002/(ISSN)1096-987X
- W.D. Cornell, P. Cieplak, C.I. Bayly, I.R. Gould, K.M. Merz Jr., D.M. Ferguson, D.C. Spellmeyer, T. Fox, J.W. Caldwell, and P.A. Kollman, J. Am. Chem. Soc. 117, 5179 (1995).10.1021/ja00124a002
- M.R. Pastrana, A.M. Quintales, J. Brandao, and A. J. C. Varandas. J. Phys. Chem. 94, 8073 (1990).10.1021/j100384a019
- L.A.M. Quintales, A.J.C. Varandas, and J.M. Alvarino, J. Phys. Chem. 92, 4552 (1988).10.1021/j100326a059
- H. Szichman, M. Baer, and A.J.C. Varandas, J. Phys. Chem. A. 101, 8817 (1997).10.1021/jp9717608
- L.A. Poveda, and A.J.C. Varandas, J. Phys. Chem. A. 107, 7923 (2003).10.1021/jp030571o
- S. Joseph, and A.J.C. Varandas, J. Phys. Chem. A. 113, 4175 (2009).10.1021/jp810600r
- Z. Xie, and J.M. Bowman, J. Chem. Theory Comput. 6, 26 (2010).10.1021/ct9004917
- J.M. Bowman, G. Czakó, and B. Fu, Phys. Chem. Chem. Phys. 13, 8094 (2011).10.1039/c0cp02722g
- J. Li, Y. Wang, B. Jiang, J. Ma, R. Dawes, D. Xie, J.M. Bowman, and H. Guo, J. Chem. Phys. 136, 041103 (2012).10.1063/1.3680256
- T.S. Ho, and H. Rabitz, J. Chem. Phys. 104, 2584 (1996).10.1063/1.470984
- T.S. Ho, and H. Rabitz, J. Chem. Phys. 119, 6433 (2003).10.1063/1.1603219
- C. Xu, B. Jiang, D. Xie, S.C. Farantos, S.Y. Lin, and H. Guo, J. Phys. Chem. A. 111, 10353 (2007).10.1021/jp072319c
- A. Li, D. Xie, R. Dawes, A.W. Jasper, J. Ma, and H. Guo, J. Chem. Phys. 133, 144306 (2010).10.1063/1.3490642
- J.W. Perry, R. Dawes, A.F. Wagner, and D.L. Thompson, J. Chem. Phys. 139, 084319 (2013).10.1063/1.4818879
- R. Guadagnini, G.C. Schatz, and S.P. Walch, J. Chem. Phys. 102, 774 (1995).10.1063/1.469191
- R.P.A. Bettens, and M.A. Collins, J. Chem. Phys. 111, 816 (1999).10.1063/1.479368
- M.A. Collins, Theor. Chem. Acc. 108, 313 (2002).10.1007/s00214-002-0383-5
- C. Crespos, M.A. Collins, E. Pijper, and G.-J. Kroes, J. Chem. Phys. 120, 2392 (2004).10.1063/1.1637337
- J. Ischtwan, and M.A. Collins, J. Chem. Phys. 100, 8080 (1994).10.1063/1.466801
- R. Dawes, D.L. Thompson, Y. Guo, A.F. Wagner, and M. Minkoff, J. Chem. Phys. 126, 184108 (2007).
- R. Dawes, D.L. Thompson, A.F. Wagner, and M. Minkoff, J. Chem. Phys. 128, 084107 (2008).
- J.P. Camden, R. Dawes, and D.L. Thompson, J. Phys. Chem. A. 113, 4626 (2009).10.1021/jp8113144
- R. Dawes, A. Passalacqua, A.F. Wagner, T.D. Sewell, M. Minkoff, and D.L. Thompson, J. Chem. Phys. 130, (2009).
- A.J. Binder, R. Dawes, A.W. Jasper, and J.P. Camden, J. Phys. Chem. Lett. 1, 2940 (2010).10.1021/jz1011059
- R. Dawes, X.G. Wang, A.W. Jasper, and T. Carrington, J. Chem. Phys. 133, 134304 (2010).
- M. Majumder, S.A. Ndengue, and R. Dawes, Mol. Phys. 114, 1 (2016).10.1080/00268976.2015.1096974
- T. Ishida, and G.C. Schatz, Chem. Phys. Lett. 314, 369 (1999).10.1016/S0009-2614(99)00881-7
- Y. Guo, A. Kawano, D.L. Thompson, A.F. Wagner, and M. Minkoff, J. Chem. Phys. 121, 5091 (2004).10.1063/1.1777572
- G.G. Maisuradze, D.L. Thompson, A.F. Wagner, and M. Minkoff, J. Chem. Phys. 119, 10002 (2003).10.1063/1.1617271
- T.B. Blank, S.D. Brown, A.W. Calhoun, and D.J. Doren, J. Chem. Phys. 103, 4129 (1995).10.1063/1.469597
- H. Gassner, M. Probst, A. Lauenstein, and K. Hermansson, J. Phys. Chem. A. 102, 4596 (1998).10.1021/jp972209d
- L.M. Raff, M. Malshe, M. Hagan, D.I. Doughan, M.G. Rockley, and R. Komanduri, J. Chem. Phys. 122, 084104 (2005).10.1063/1.1850458
- S. Manzhos, X. Wang, R. Dawes, and T. Carrington, J. Phys. Chem. A. 110, 5295 (2006).10.1021/jp055253z
- D. Latino, R.P.S. Fartaria, F.F.M. Freitas, J. Aires-De-Sousa, and F. Silva Fernandes, Int. J. Quantum Chem. 110, 432 (2010).10.1002/qua.22198
- S. Manzhos, R. Dawes, and T. Carrington, Int. J. Quantum Chem. 115, 1012 (2015).10.1002/qua.24795
- B. Jiang, and H. Guo, J. Chem. Phys. 139, 054112 (2013).10.1063/1.4817187
- J. Li, B. Jiang, and H. Guo, J. Chem. Phys. 139, 204103 (2013).10.1063/1.4832697
- B. Jiang, and H. Guo, J. Chem. Phys. 141, 034109 (2014).10.1063/1.4887363
- J. Li, S. Carter, J.M. Bowman, R. Dawes, D. Xie, and H. Guo, J. Phys. Chem. Lett. 5, 2364 (2014).10.1021/jz501059m
- J. Li, B. Jiang, H. Song, J. Ma, B. Zhao, R. Dawes, and H. Guo, J. Phys. Chem. A. 119, 4667 (2015).10.1021/acs.jpca.5b02510
- B. Jiang, J. Li, and H. Guo, Int. Rev. Phys. Chem. (unpublished).
- M. Majumder, S.E. Hegger, R. Dawes, S. Manzhos, X.-G. Wang, C. Tucker Jr., J. Li, and H. Guo, Mol. Phys. 113, 1823 (2015).10.1080/00268976.2015.1015642
- J.D. Bender, S. Doraiswamy, D.G. Truhlar, and G.V. Candler, J. Chem. Phys. 140, 054302 (2014).10.1063/1.4862157
- R.J. Le Roy, and A. Pashov, J. Quant. Spectrosc. Radiat. Transfer. (2016) forthcoming. doi:10.1016/j.jqsrt.2016.05.028.
- M.H. Beck, A. Jackle, G.A. Worth, and H.-D. Meyer, Phys. Rep. 324, 1 (2000).10.1016/S0370-1573(99)00047-2
- H.-D. Meyer, F. Gatti, and G.A. Worth, Multidimensional Quantum Dynamics (Wiley-VCH, Weinheim, 2009).10.1002/9783527627400
- D. Peláez, and H.-D. Meyer, J. Chem. Phys. 138, 014108 (2013).10.1063/1.4773021
- A. Jäckle, and H.-D. Meyer, J. Chem. Phys. 104, 7974 (1996).10.1063/1.471513
- A. Jäckle, and H.-D. Meyer, J. Chem. Phys. 109, 3772 (1998).10.1063/1.476977
- I.M. Sobol, USSR Comput. Math. Math. Phys. 7, 86 (1967).10.1016/0041-5553(67)90144-9
- X. Zhu, and D.R. Yarkony, J. Chem. Phys. 140, 024112 (2014).10.1063/1.4857335
- M.A. Collins, O. Godsi, S. Liu, and D.H. Zhang, J. Chem. Phys. 135, 234307 (2011).10.1063/1.3664759
- R.J. Bartlett, and M. Musiał, Rev. Mod. Phys. 79, 291 (2007).10.1103/RevModPhys.79.291
- D.A. Matthews, and J.F. Stanton, J. Chem. Phys. 142, 064108 (2015).10.1063/1.4907278
- G. Chalasinski, and M.M. Szczesniak, Chem. Rev. 94, 1723 (1994).10.1021/cr00031a001
- P. Piecuch, S.A. Kucharski, and K. Kowalski, Chem. Phys. Lett. 344, 176 (2001).10.1016/S0009-2614(01)00759-X
- J.F. Stanton, and J. Gauss, J. Chem. Phys. 100, 4695 (1994).10.1063/1.466253
- J.F. Stanton, and R.J. Bartlett, J. Chem. Phys. 98, 7029 (1993).10.1063/1.464746
- A.I. Krylov, Annu. Rev. Phys. Chem. 59, 433 (2008).10.1146/annurev.physchem.59.032607.093602
- K. Kowalski, and P. Piecuch, J. Chem. Phys. 115, 643 (2001).10.1063/1.1378323
- M. Nooijen, and R.J. Bartlett, J. Chem. Phys. 107, 6812 (1997).10.1063/1.474922
- S. Hirata, J. Chem. Phys. 121, 51 (2004).10.1063/1.1753556
- A.I. Krylov, Acc. Chem. Res. 39, 83 (2006).10.1021/ar0402006
- R. Dawes, Albert F. Wagner, Donald L. Thompson, and M. Minkoff, J. Phys. Chem. A. 113, 4709 (2009).10.1021/jp900409r
- G. Li, L. Zhou, Q.-S. Li, Y. Xie, and H.F. Schaefer III. Phys. Chem. Chem. Phys. 14, 10891 (2012).10.1039/c2cp41555k
- J. Li, R. Dawes, and H. Guo, J. Chem. Phys. 137, 094304 (2012).
- J. Li, B. Jiang, and H. Guo, J. Chem. Phys. 138, 074309 (2013).10.1063/1.4791640
- T.L. Nguyen, J. Li, R. Dawes, J.F. Stanton, and H. Guo, J. Phys. Chem. A. 117, 8864 (2013).10.1021/jp4069448
- B.C. Shepler, B.J. Braams, and J.M. Bowman, J. Phys. Chem. A. 111, 8282 (2007).10.1021/jp074646q
- T.J. Lee, Chem. Phys. Lett. 372, 362 (2003).10.1016/S0009-2614(03)00435-4
- T.J. Lee, and P.R. Taylor, Int. J. Quant. Chem. 36, 199 (1989).
- W. Jiang, N.J. DeYonker, and A.K. Wilson, J. Chem. Theory Comput. 8, 460 (2012).10.1021/ct2006852
- P.E. Siegbahn, J. Almlöf, A. Heiberg, and B.O. Roos, J. Chem. Phys. 74, 2384 (1981).10.1063/1.441359
- P.-Å. Malmqvist, and B.O. Roos, Chem. Phys. Lett. 155, 189 (1989).10.1016/0009-2614(89)85347-3
- H.-J. Werner, Mol. Phys. 89, 645 (1996).10.1080/002689796173967
- H.J. Werner, and P.J. Knowles, J. Chem. Phys. 89, 5803 (1988).10.1063/1.455556
- P.J. Knowles, and H.-J. Werner, Chem. Phys. Lett. 145, 514 (1988).10.1016/0009-2614(88)87412-8
- H.J. Werner, and E.A. Reinsch, J. Chem. Phys. 76, 3144 (1982).10.1063/1.443357
- M.P. Deskevich, D.J. Nesbitt, and H.-J. Werner, J. Chem. Phys. 120, 7281 (2004).10.1063/1.1667468
- MOLPRO, version 2012.1, a package of ab initio programs, H.-J. Werner, P.J. Knowles, G. Knizia, F.R. Manby, and M. Schütz, and others. <http://www.molpro.net>
- R. Dawes, A.W. Jasper, C. Tao, C. Richmond, C. Mukarakate, S.H. Kable, and S.A. Reid, J. Phys. Chem. Lett. 1, 641 (2010).10.1021/jz900380a
- R. Dawes, P. Lolur, J. Ma, and H. Guo, J. Chem. Phys. 135, 081102 (2011).10.1063/1.3632055
- B.J. Barker, I.O. Antonov, J.M. Merritt, V.E. Bondybey, M.C. Heaven, and R. Dawes, J. Chem. Phys. 137, 214313 (2012).
- J. Ma, H. Guo, and R. Dawes, Phys. Chem. Chem. Phys. 14, 12090 (2012).10.1039/c2cp41621b
- C. Tao, C.A. Richmond, C. Mukarakate, S.H. Kable, G.B. Bacskay, E.C. Brown, R. Dawes, P. Lolur, and S.A. Reid, J. Chem. Phys. 137, 104307 (2012).
- R. Dawes, P. Lolur, A. Li, B. Jiang, and H. Guo, J. Chem. Phys. 139, 201103 (2013).10.1063/1.4837175
- A.W. Jasper, and R. Dawes, J. Chem. Phys. 139, 154313 (2013).
- F. Venghaus, and W. Eisfeld, J. Chem. Phys. 144, 114110 (2016).10.1063/1.4943869
- J.S. Boschen, D. Theis, K. Ruedenberg, and T.L. Windus, Theo. Chem. Acc. 133, 1 (2014).
- R. Dawes, B. Jiang, and H. Guo, J. Am. Chem. Soc. 137, 50 (2015).10.1021/ja510736d
- B. Jiang, D. Xie, and H. Guo, J. Chem. Phys. 134, 231103 (2011).10.1063/1.3604567
- B. Jiang, D. Xie, and H. Guo, J. Chem. Phys. 136, 034302 (2012).10.1063/1.3676725
- P. Lolur, R. Dawes, and M.C. Heaven, Mol. Phys. 114, 162 (2016).
- B. Ruscic, Updated Active Thermochemical Tables (ATcT) values based on ver. 1.110 of the Thermochemical Network (2012). <ATcT.anl.gov>.
- B. Ruscic, R.E. Pinzon, G. Laszewski, D. Kodeboyina, A. Burcat, D. Leahy, D. Montoy, and A.F. Wagner, J. Phys. Conf. Ser. 16, 561 (2005).10.1088/1742-6596/16/1/078
- A. Miani, J. Tennyson, and T. VanMourik, High Accuracy Potentials for Quantum Dynamics (Collaborative Computational Project number 6 (CCP6), 2003).
- M.S. Schuurman, S.R. Muir, W.D. Allen, and H.F. Schaefer III. J. Chem. Phys. 120, 11586 (2004).10.1063/1.1707013
- K. Kahn, and T.C. Bruice, Theor. Chem. Acc. 111, 18 (2004).10.1007/s00214-003-0455-1
- A. Tajti, P.G. Szalay, A.G. Császár, M. Kállay, J. Gauss, E.F. Valeev, B.A. Flowers, J. Vázquez, and J.F. Stanton, J. Chem. Phys. 121, 11599 (2004).10.1063/1.1811608
- Y.J. Bomble, J. Vázquez, M. Kállay, C. Michauk, P.G. Szalay, A.G. Császár, J. Gauss, and J.F. Stanton, J. Chem. Phys. 125, 064108 (2006).10.1063/1.2206789
- M.E. Harding, J. Vázquez, J. Gauss, J.F. Stanton, and M. Kállay, J. Chem. Phys. 135, 044513 (2011).10.1063/1.3609250
- D. Feller, K.A. Peterson, and T.D. Crawford, J. Chem. Phys. 124, 054107 (2006).10.1063/1.2137323
- D. Feller, and K.A. Peterson, J. Chem. Phys. 126, 114105 (2007).10.1063/1.2464112
- G. Knizia, T.B. Adler, and H.-J. Werner, J. Chem. Phys. 130, 054104 (2009).10.1063/1.3054300
- T. Shiozaki, and H.J. Werner, J. Chem. Phys. 133, 141103 (2010).10.1063/1.3489000
- T. Shiozaki, G. Knizia, and H.-J. Werner, J. Chem. Phys. 134, 034113 (2011).10.1063/1.3528720
- T. Shiozaki, and H.-J. Werner, Mol. Phys. 111, 607 (2013).10.1080/00268976.2013.779393
- T.B. Adler, G. Knizia, and H.-J. Werner, J. Chem. Phys. 127, 221106 (2007).10.1063/1.2817618
- H.-J. Werner, G. Knizia, and F.R. Manby, Mol. Phys. 109, 407 (2011).10.1080/00268976.2010.526641
- K.B. Gubbels, S.Y. Meerakker, G.C. Groenenboom, G. Meijer, and A. Avoird, J. Chem. Phys. 136, 074301 (2012).10.1063/1.3683219
- L. Bytautas, T. Nagata, M.S. Gordon, and K. Ruedenberg, J. Chem. Phys. 127, 164317 (2007).10.1063/1.2800017
- M.S. Gordon, K. Ruedenberg, M.W. Schmidt, L. Bytautas, T.J. Dudley, T. Nagata, R. Olson, and S. Varganov, Journal of Physics: Conference Series. (IOP Publishing) p. 229.
- K.A. Peterson, and T.H. Dunning Jr., J. Chem. Phys. 117, 10548 (2002).10.1063/1.1520138
- J.G. Hill, S. Mazumder, and K.A. Peterson, J. Chem. Phys. 132, 054108 (2010).10.1063/1.3308483
- M. Reiher, and A. Wolf, J. Chem. Phys. 121, 10945 (2004).10.1063/1.1818681
- A. Berning, M. Schweizer, H.-J. Werner, P.J. Knowles, and P. Palmieri, Mol. Phys. 98, 1823 (2000).10.1080/00268970009483386
- A. Nicklass, K.A. Peterson, A. Berning, H.-J. Werner, and P.J. Knowles, J. Chem. Phys. 112, 5624 (2000).10.1063/1.481137
- A. Kalume, L. George, A.D. Powell, R. Dawes, and S.A. Reid, J. Phys. Chem. A. 118, 6838 (2014).10.1021/jp412212h
- M. Iliaš, H.J.A. Jensen, R. Bast, and T. Saue, Mol. Phys. 111, 1373 (2013).10.1080/00268976.2013.798436
- J. Brown, X.G. Wang, R. Dawes, and T. Carrington, J. Chem. Phys. 136, 134306 (2012).
- R. Dawes, X.G. Wang, and T. Carrington, J. Phys. Chem. A. 117, 7612 (2013).10.1021/jp404888d
- S.A. Ndengué, R. Dawes, and F. Gatti, J. Phys. Chem. A. 119, 7712 (2015).10.1021/acs.jpca.5b01022
- J. Brown, X.G. Wang, T. Carrington Jr., G.S. Grubbs 2nd, and R. Dawes, J. Chem. Phys. 140, 114303 (2014).10.1063/1.4867792
- X.-G. Wang, T. Carrington, R. Dawes, and A.W. Jasper, J. Mol. Spectrosc. 268, 53 (2011).10.1016/j.jms.2011.03.017
- D.W. Schwenke, J. Chem. Phys. 122, 014107 (2005).10.1063/1.1824880
- Y. Li, Z. Sun, B. Jiang, D. Xie, R. Dawes, and H. Guo, J. Chem. Phys. 141, 081102 (2014).10.1063/1.4894069
- Z. Sun, D. Yu, W. Xie, J. Hou, R. Dawes, and H. Guo, J. Chem. Phys. 142, 174312 (2015).10.1063/1.4919861
- W. Xie, L. Liu, Z. Sun, H. Guo, and R. Dawes, J. Chem. Phys. 142, 064308 (2015).10.1063/1.4907229
- S. Ndengué, R. Dawes, X.-G. Wang, T. Carrington Jr., Z. Sun, and H. Guo, J. Chem. Phys. 144, 074302 (2016).10.1063/1.4941559
- V.G. Tyuterev, R. Kochanov, A. Campargue, S. Kassi, D. Mondelain, A. Barbe, E. Starikova, M. De Backer, P. Szalay, and S. Tashkun, Phys. Rev. Lett. 113, 143002 (2014).10.1103/PhysRevLett.113.143002
- D. Babikov, J. Chem. Phys. 119, 6554 (2003).10.1063/1.1604771
- M. Ayouz, and D. Babikov, J. Chem. Phys. 138, 164311 (2013).10.1063/1.4799915
- L.B. Harding, S.J. Klippenstein, H. Lischka, and R. Shepard, Theor. Chem. Acc. 133, 1 (2014).
- M. Lepers, B. Bussery-Honvault, and O. Dulieu, J. Chem. Phys. 137, 234305 (2012).10.1063/1.4770054
- S.A. Ndengué, R. Schinke, F. Gatti, H.-D. Meyer, and R. Jost, J. Phys. Chem. A. 116, 12271 (2012).10.1021/jp307195v
- S.A. Ndengué, F. Gatti, R. Schinke, H.-D. Meyer, and R. Jost, J. Phys. Chem. A. 114, 9855 (2010).10.1021/jp103266m
- S. Ndengué, S. Madronich, F. Gatti, H.D. Meyer, O. Motapon, and R. Jost, J. Geophys. Res. Atmos. 119, 4286 (2014).10.1002/2013JD020033
- W.B. DeMore, and O. Raper, J. Chem. Phys. 44, 1780 (1966).10.1063/1.1726939
- R. Schinke, and G.C. McBane, J. Chem. Phys. 132, 044305 (2010).10.1063/1.3299249
- M. Erturk, and L. Meissner, Adv. Quant. Chem. 73, 145 (2016).
- G.H. Diercksen, J. Chem. Phys. 101, 3018 (1994).
- D.B. Krisiloff, and E.A. Carter, Phys. Chem. Chem. Phys. 14, 7710 (2012).10.1039/c2cp23757a
- P.J. Bruna, R.J. Buenker, and S.D. Peyerimhoff, J. Mol. Struct. 32, 217 (1976).10.1016/0022-2860(76)85001-6
- G.E. Ewing, W.E. Thompson, and G.C. Pimentel, J. Chem. Phys. 32, 927 (1960).10.1063/1.1730819
- J.C. Loison, S.H. Kable, P.L. Houston, and I. Burak, J. Chem. Phys. 94, 1796 (1991).10.1063/1.459953
- G.F. Adams, G.D. Bent, G.D. Purvis, and R.J. Bartlett, J. Chem. Phys. 71, 3697 (1979).10.1063/1.438824
- A.V. Marenich, and J.E. Boggs, J. Phys. Chem. A. 107, 2343 (2003).10.1021/jp0223298
- J.D. Tobiason, J.R. Dunlop, and E.A. Rohlfing, J. Chem. Phys. 103, 1448 (1995).10.1063/1.470699
- J. Zhang, (personal communication, 2015).
- L. Song, A. van der Avoird, and G.C. Groenenboom, J. Phys. Chem. A. 117, 7571 (2013).10.1021/jp402470b
- L. Song, N. Balakrishnan, A. van der Avoird, T. Karman, and G.C. Groenenboom, J. Chem. Phys. 142, 204303 (2015).10.1063/1.4921520
- S.A. Ndengué, R. Dawes, F. Gatti, and H.D. Meyer, J. Phys. Chem. A. 119, 12043 (2015).10.1021/acs.jpca.5b04642
- J.C. Tremblay, and T. Carrington Jr., J. Chem. Phys. 122, 244107 (2005).10.1063/1.1942494
- B. Poirier, and T. Carrington Jr., J. Chem. Phys. 116, 1215 (2002).10.1063/1.1428752
- T.P. Grozdanov, V.A. Mandelshtam, and H.S. Taylor, J. Chem. Phys. 103, 7990 (1995).10.1063/1.470217
- S.H. Kable, J.-C. Loison, P.L. Houston, and I. Burak, J. Chem. Phys. 92, 6332 (1990).10.1063/1.458311
- D.W. Neyer, S.H. Kable, J.C. Loison, P.L. Houston, I. Burak, and E.M. Goldfield, J. Chem. Phys. 97, 9036 (1992).10.1063/1.463330
- H.J. Werner, C. Bauer, P. Rosmus, H.M. Keller, M. Stumpf, and R. Schinke, J. Chem. Phys. 102, 3593 (1995).10.1063/1.468588
- H.M. Keller, H. Floethmann, A.J. Dobbyn, R. Schinke, H.J. Werner, C. Bauer, and P. Rosmus, J. Chem. Phys. 105, 4983 (1996).10.1063/1.472347
- L.J. Doriol, F. Gatti, C. Iung, and H.-D. Meyer, J. Chem. Phys. 129, 224109 (2008).10.1063/1.3020716
- G. Worth, M. Beck, A. Jäckle, H. Meyer, F. Otto, M. Brill, and O. Vendrell, User’s Guide, Version 8 (2000). <http://www.pci.uni-heidelberg.de/cms/mctdh.html>.
- S. Ndengue, R. Dawes, and H. Guo, J. Chem. Phys. (2016), in press.
- G. Herzberg, Molecular Spectra and Molecular Structure, Vol. 3, Electronic Spectra of Polyatomic Molecules (Van Nostrand, 1966).
- M. Nooijen, O. Demel, D. Datta, L. Kong, K. Shamasundar, V. Lotrich, L.M. Huntington, and F. Neese, J. Chem. Phys. 140, 081102 (2014).10.1063/1.4866795
- R.J. Bartlett, WIREs: Comput. Mol. Sci. 2, 126 (2012).
- P. Piecuch, S.A. Kucharski, K. Kowalski, and M. Musiał, Comput. Phys. Commun. 149, 71 (2002).10.1016/S0010-4655(02)00598-2
- P. Piecuch, and M. Włoch, J. Chem. Phys. 123, 224105 (2005).10.1063/1.2137318
- S.A. Nedd, N.J. DeYonker, A.K. Wilson, P. Piecuch, and M.S. Gordon, J. Chem. Phys. 136, 144109 (2012).10.1063/1.3700801
- P. Piecuch, J.A. Hansen, and A.O. Ajala, Mol. Phys. 113, 3085 (2015).10.1080/00268976.2015.1076901
- M. Musiał, A. Perera, and R.J. Bartlett, J. Chem. Phys. 134, 114108 (2011).10.1063/1.3567115
- A. Sen, S. Sen, P.K. Samanta, and D. Mukherjee, J. Comput. Chem. 36, 670 (2015).10.1002/jcc.23851
- P. Jeszenszki, P.R. Surján, and Á. Szabados, J. Chem. Phys. 138, 124110 (2013).10.1063/1.4795436
- Ö. Legeza, T. Rohwedder, R. Schneider, and S. Szalay, in Many-Electron Approaches in Physics, Chemistry and Mathematics (Springer, Switzerland, 2014). pp. 53–76.
- F. Liu, Y. Kurashige, T. Yanai, and K. Morokuma, J. Chem. Theory Comput. 9, 4462 (2013).10.1021/ct400707k
- S. Wouters, W. Poelmans, S. De Baerdemacker, P.W. Ayers, and D. Van Neck, Comput. Phys. Commun. 191, 235 (2015).10.1016/j.cpc.2015.01.007
- D. Feller, and K.A. Peterson, J. Chem. Phys. 139, 084110 (2013).10.1063/1.4819125
- L. Kong, F.A. Bischoff, and E.F. Valeev, Chem. Rev. 112, 75 (2011).
- K. Szalewicz, WIREs: Comput. Mol. Sci. 2, 254 (2012).