Bibliography¶
[Gonthier:2016:134106] | J. F. Gonthier and C.D. Sherrill, J. Chem. Phys. 145, 134106 (2016). |
[Parrish:2015:051103] | R. M. Parrish, J. F. Gonthier, C. Corminboeuf, and C.D. Sherrill, J. Chem. Phys. 143, 051103 (2015). |
[Parrish:2014:17386] | R. M. Parrish and C.D. Sherrill, J. Am. Chem. Soc. 136, 17386 (2014). |
[Parrish:2014:4417] | R. M. Parrish, T. M. Parker, and C.D. Sherrill, J. Chem. Theory Comput. 10, 4417 (2014). |
[Parrish:2014:044115] | R. M. Parrish and C.D. Sherrill, J. Chem. Phys. 141, 044115 (2014). |
[Jeziorski:1994:1887] | B. Jeziorski, R. Moszynski, and K. Szalewicz, Chem. Rev. 94, 1887 (1994). |
[Parker:2014:094106] | T. M. Parker, L. A. Burns, R. M. Parrish, A. G. Ryno, and C. D. Sherrill, J. Chem. Phys. 140, 094106 (2014). |
[Hohenstein:2012:WIREs] | E. G. Hohenstein and C. D. Sherrill, WIREs Comput. Mol. Sci. 2, 304-326 (2012). |
[Hohenstein:2010:184111] | E. G. Hohenstein and C. D. Sherrill, J. Chem. Phys. 132, 184111 (2010). |
[Hohenstein:2011:174107] | E. G. Hohenstein, R. M. Parrish, C. D. Sherrill, J. M. Turney, and H. F. Schaefer, J. Chem. Phys. 135, 174107 (2011). |
[Hohenstein:2011:2842] | E. G. Hohenstein, H. M. Jaeger, E. J. Carrell, G. S. Tschumper, and C. D. Sherrill, J. Chem. Theory Comput. 7, 2842-2851 (2011). |
[Parrish:2013:174102] | R. M. Parrish and C. D. Sherrill, J. Chem. Phys. 139, 174102 (2013). |
[Hohenstein:2010:014101] | E. G. Hohenstein and C. D. Sherrill, J. Chem. Phys. 133, 014101 (2010). |
[Hohenstein:2010:104107] | E. G. Hohenstein and C. D. Sherrill, J. Chem. Phys. 133, 104107 (2010). |
[Misquitta:2009:201] | A. J. Stone and A. J. Misquitta, Chem. Phys. Lett. 473, 201 (2009). |
[Papajak:2011:10] | E. Papajak and D. G. Truhlar, J. Chem. Theory Comput. 7, 10-18 (2011). |
[Cohen:GreenBook:2008] | E. R. Cohen, T. Cvitas, J. G. Frey, B. Holmströom, K. Kuchitsu, R. Marquardt, I. Mills, F. Pavese, M. Quack, J. Stohner, H. L. Strauss, M. Takami, and A. J. Thor, Quantities, Units, and Symbols in Physical chemistry, IUPAC Green Book, 3rd. Ed., IUPAC & RSC Publishing (Cambridge, 2008). |
[PubChem] | E. Bolton, Y. Wang, P. A. Thiessen, S. H. Bryant. PubChem: Integrated Platform of Small Molecules and Biological Activities, Chapter 12 in Annual Reports in Computational Chemistry, Volume 4 (American Chemical Society: Washington, DC, 2008). See pubchem.ncbi.nlm.nih.gov. |
[Sherrill:1999:CI] | C. D. Sherrill and H. F. Schaefer, Advances in Quantum Chemistry, Vol. 34, edited by P.-O. Löwdin (Academic Press, New York, 1999), pages 143-269. |
[Hirata:2000:216] | S. Hirata and R. J. Bartlett, Chem. Phys. Lett. 321, 216 (2000). |
[Olsen:2000:7140] | J. Olsen, J. Chem. Phys. 113, 7140 (2000). |
[Peng:1996:49] | Peng, Ayala, Schlegel, and Frisch, J. Comput. Chem. 17, 49 (1996). |
[Bakken:2002:9160] | Bakken and Helgaker, J. Chem. Phys. 117, 9160 (2002). |
[Schlegel:1984:333] | Schlegel, Theor. Chim. Acta 66, 333 (1984). |
[Fischer:1992:9770] | Fischer and Almlof, J. Phys. Chem. 96, 9770 (1992). |
[Schlegel:1987:AIMQC] | Schlegel, Ab Initio Methods in Quantum Chemistry, (1987). |
[Bofill:1994:1] | Bofill, J. Comp. Chem. 15, 1-11 (1994). |
[Piecuch:1999:6103] | P. Piecuch, S. A. Kicharski, and R. J. Bartlett, J. Chem. Phys. 110, 6103 (1999). |
[Handy:1980] | N. C. Handy, Chem. Phys. Lett. 74, 280 (1980). |
[Olsen:1988] | J. Olsen, B. O. Roos, P. Jørgensen, and H. J. Aa. Jensen, J. Chem. Phys. 89 2185 (1988). |
[Schirmer:1982] | J. Schirmer, Phys. Rev. A 26, 2395 (1982). |
[Trofimov:2006] | A. B. Trofimov, I. L, Krivdina, J. Weller, and J. Schirmer, Chem. Phys. 329, 1 (2006). |
[Haettig:2002] | C. Häaettig and K. Hald, Phys. Chem. Chem. Phys. 4, 2111 (2002). |
[Saitow:2012] | M. Saitow and Y. Mochizuki, Chem. Phys. Lett. X, XX (2012). |
[Evangelista:2010:4728] | F. A. Evangelista, E. Prochnow, J. Gauss, and H. F. Schaefer, J. Chem. Phys. 132, (2010). |
[Evangelista:2009:4728] | F. A. Evangelista, A. C. Simmonett, H. F. Schaefer, III, D. Mukherjee, and W. D. Allen, Phys. Chem. Chem. Phys. 11, 4728 (2009). |
[Evangelista:2006:154113] | F. A. Evangelista, W. D. Allen, and H. F. Schaefer, III, J. Chem. Phys. 125, 154113 (2006). |
[Evangelista:2008:124104] | F. A. Evangelista, A. C. Simmonett, W. D. Allen, H. F. Schaefer, III, and J. Gauss, J. Chem. Phys. 128, 124104 (2008). |
[Cheng:084114] | L. Cheng and J. Gauss, J. Chem. Phys. 135, 084114 (2011). |
[Verma:2015] | P. Verma, W. D. Derricotte, F. A. Evangelista, J. Chem. Theory Comput. DOI: 10.1021/acs.jctc.5b00817 (2015). |
[Jeziorski:1981:1668] | B. Jeziorski and H. J. Monkhorst, Phys. Rev. A 24, 1668 (1981). |
[Raghavachari:1989] | K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 157, 479-483 (1989). |
[Purvis:1982] | G. D. Purvis and R. J. Bartlett, J. Chem. Phys. 76, 1910-1918 (1982). |
[Sosa:1989:148] | C. Sosa, J. Geersten, G. W. Trucks, R. J. Barlett, and J. A. Franz, Chem. Phys. Lett. 159, 148–154 (1989). |
[Roos:1980] | B. O. Roos, Chem. Phys. 48, 157-173 (1980). |
[Chaban:1997:88] | G. Chaban, M. W. Schmidt, and M. S. Gordon, Theor. Chem. Acc. 97, 88-95 (1997). |
[Pulay:1980] | P. Pulay, Chem. Phys. Lett. 73, 393-398 (1980). |
[Malmqvist:1990:RASSCF] | P.-A. Malmqvist, A. Rendell, and B. O. Roos, J. Phys. Chem. 94, 5477-5482 (1990). |
[Docken:1972:4928] | K. K. Docken and J. Hinze, J. Chem. Phys. 57, 4928-4936 (1972). |
[Ruedenberg:1979:1069] | K. Ruedenberg, L. M. Cheung, and S. T. Elbert, Int. J. Quantum Chem. 16, 1069-1101 (1979). |
[Evangelista:2010:074107] | F. A. Evangelista, E. Prochnow, J. Gauss, and H. F. Schaefer, J. Chem. Phys. 132, 074107 (2010). |
[Wennmohs:2008:217] | F. Wennmohs and F. Neese, Chem. Phys. 343, 217-230 (2008). |
[DePrince:2013:293] | A. E. DePrince III and C. D. Sherrill, J. Chem. Theory Comput. 9, 293-299 (2013). |
[DePrince:2013:2687] | A. E. DePrince III and C. D. Sherrill, J. Chem. Theory Comput. 9, 2687-2696 (2013). |
[Curtiss:1991:7221] | L. A. Curtiss, K. Raghavachari, G. W. Trucks, and J. A. Pople, J. Chem. Phys. 94, 7221-7230 (1991). |
[Pople:1987:5968] | J. A. Pople, M. Head-Gordon, and K. J. Raghavachari, Chem. Phys. 87, 5968 (1987). |
[Crawford:1997:instability] | T. D. Crawford, J. F. Stanton, W. D. Allen, and H. F. Schaefer, J. Chem. Phys., 107, 10626 (1997). |
[Sherrill:1998:od] | C. D. Sherrill, A. I. Krylov, E. F. C. Byrd, and M. Head-Gordon, J. Chem. Phys. 109, 4171 (1998). |
[Krylov:2000:vod] | A. I. Krylov, C. D. Sherrill, and M. Head-Gordon, J. Chem. Phys. 113, 6509 (2000). |
[Kurlancek:2009] | W. Kurlancheek and M. Head-Gordon, Mol. Phys. 107, 1223 (2009). |
[Pedersen:1999:od] | T. B. Pedersen, H. Koch, and C. Hattig, J. Chem. Phys. 110, 8318 (1999). |
[Pedersen:2001:od] | T. B. Pedersen, B. Fernandez, and H. Koch, J. Chem. Phys. 114, 6983 (2001). |
[Bozkaya:2011:omp2] | U. Bozkaya, J. M. Turney, Y. Yamaguchi, H. F. Schaefer, and C. D. Sherrill J. Chem. Phys. 135, 104103 (2011). |
[Bozkaya:2013:omp2grad] | U. Bozkaya and C. D. Sherrill J. Chem. Phys. 138, 184103 (2013). |
[Bozkaya:2011:omp3] | U. Bozkaya, J. Chem. Phys. 135, 224103 (2011). |
[Bozkaya:2013:omp3] | E. Soydas and U. Bozkaya, J. Chem. Theory Comput. 9, 1452 (2013). |
[Bozkaya:2012:odtl] | U. Bozkaya and H. F. Schaefer, J. Chem. Phys. 136, 204114 (2012). |
[Bozkaya:2013:ocepa] | U. Bozkaya and C. D. Sherrill J. Chem. Phys. 139, 054104 (2013). |
[Bozkaya:2013:omp3grad] | U. Bozkaya, J. Chem. Phys. 139, 104116 (2013). |
[Grimme:2004:1463] |
|
[Grimme:2006:1787] |
|
[Grimme:2010:154104] | S. Grimme, J. Antony, S. Ehrlich, and H. Krieg, J. Chem. Phys. 132, 154104 (2010). |
[Grimme:2011:1456] | S. Grimme, S. Ehrlich, and L. Goerigk, J. Comput. Chem. 32, 1456 (2011). |
[Wu:2002:515] | Q. Wu and W. Yang, J. Chem. Phys. 116, 515 (2002). |
[Hohenberg:1964:136] | P. Hohenberg and W. Kohn, Phys. Rev. 136, B864-B871 (1964). |
[Kohn:1965:A1133] | W. Kohn and L.J. Sham, Phys. Rev. 140, A1133-A1138 (1965). |
[Parr:1989] | R.G. Parr and W. Yang, Density Functional Theory of Atoms and Molecules Oxford University Press, USA, 1989 ISBN:0195357736, 9780195357738 |
[FW:1950] | L. L. Foldy and S. A. Wouthuysen, Phys. Rev. 78, 29-36 (1950) |
[Kutzelnigg:1984] | W. Kutzelnigg, Int. J. Quantum Chem. 25, 107-129 (1984) |
[Smith:2016:2197] | D. Smith, L. Burns, K. Patkowski, and D. Sherrill, J. Phys. Chem. Lett. 7, 2197-2203 (2016). |
[Szabo:1982] | A. Szabo and N. S. Ostlund, Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory 1982 ISBN:0486691861 |
[Grimme:2015:054107] | S. Grimme, J. Brandenburg, C. Bannwarth, and A. Hansen, J. Chem. Phys. 143, 054107 (2015). |
[Sure:2013:1672] | R. Sure and S. Grimme, J. Comput. Chem. 15, 1672 (2013). |
[Kallay:2008p144101] | M. Kallay and J. Gauss, J. Chem. Phys. 129, 144101 (2008). |
[Martin:2014:785] | J. M. L. Martin, Mol. Phys. 112, 785 (2014). |
[Cammi:2009:164104] | R. Cammi, J. Chem. Phys. 131, 164104 (2009). |
[Tomasi:2005:2999] | J. Tomasi, B. Mennucci, and R. Cammi Chem. Rev. 105, 2999 (2005). |
[McGibbon:2017:161725] | R. T. McGibbon, A. G. Taube, A. G. Donchev, K. Siva, F. Hernáandez, C. Hargus, K. H. Law, J. L. Klepeis, D. E. Shaw J. Chem. Phys. 147, 161725 (2017). |
[Patkowski:2018:164110] | Konrad Patkowski, Piotr S. .Zuchowski, Daniel G. A. Smith J. Chem. Phys. 148, 164110 (2018). |
[Morell:2005:205] | Christophe Morell, André Grand, and Alejandro Toro-Labbé J. Phys. Chem. A 109, 205 (2005). |
[Martinez-Araya:2015:451] | Jorge Ignacio Martínez-Araya J. Math. Chem. 53, 451 (2015). |
[Hujo:2011:3866] | W. Hujo and S. Grimme J. Chem. Theory Comput. 7 3866 (2011). |
[Chai:2010:6615] | J. Chai and M. Head-Gordon Phys. Chem. Chem. Phys. 10 6615 (2008). |
[Pernal:2009:263201] | K. Pernal, R. Podeszwa, K. Patkowski, K. Szalewicz Phys. Rev. Lett. 103 263201 (2009). |
[Podeszwa:2010:550] | R. Podeszwa, K. Pernal, K. Patkowski, K. Szalewicz J. Phys. Chem. Lett. 1 550 (2010). |
[Schaffer:2012:1235] | R. Schäffer and G. Jansen Theor. Chem. Acc. 131, 1235 (2012). |
[Schaffer:2013:2570] | R. Schäffer and G. Jansen Mol. Phys. 111, 2570 (2013). |
[Laqua:2018:204111] | H. Laqua, J. Kussmann and C. Ochsenfeld J. Chem. Phys. 149, 204111 (2018) |
[Lehtola:2019:1593] | S. Lehtola J. Chem. Theory Comput. 15, 1593 (2019), doi: 10.1021/acs.jctc.8b01089. |
[Lehtola:2019:241102] |
|
[Lehtola:2020:012516] | S. Lehtola Phys. Rev. A. 101, 012516 (2020), doi: 10.1103/PhysRevA.101.012516. |
[Lehtola:2020:032504] | S. Lehtola Phys. Rev. A. 101, 032504 (2020), doi: 10.1103/PhysRevA.101.032504. |
[Lehtola:2020:04224] | S. Lehtola arXiv 2001:04224. |
[Olsen:2010:3721] | J. M. Olsen, K. Aidas, and J. Kongsted. J. Chem. Theory Comput. 6, 3721–3734 (2010). |
[Dreuw:2014:82] | A. Dreuw and M. Wormit. WIREs Comput. Mol. Sci. 5, 82-95 (2014). |
[Herbst2020] | M. F. Herbst, M. Scheurer, T. Fransson, D. R. Rehn, and A. Dreuw. WIREs Comput. Mol. Sci., (2020) DOI: 10.1002/wcms.1462, Preprint https://adc-connect.org/q/publications |
[Houck:2019:2278] | S. E. Houck and N. J. Mayhall, J. Chem. Theory Comput. 15, 2278-2290 (2019). |
[Krylov:2001:522] | A. I. Krylov, Chem. Phys. Lett. 350, 522-530 (2001). |
[Nooijen:1995:3629] | M. Nooijen and R. J. Bartlett, J. Chem. Phys. 102, 3629 (1995). |
[Wang:2016:214108] | L.-P. Wang and C. Song, J. Chem. Phys. 144, 214108 (2016). |
[stratmann:1998] | R. Eric Stratmann, G. E. Scuseria, and M. J. Frisch J. Chem. Phys. 109, 8218 (1998), doi: 10.1063/1.477483. |
[Pedersen1995-du] | T. B. Pedersen, A. E. Hansen Chem. Phys. Lett. 246, 1 (1995), doi: 10.1016/0009-2614(95)01036-9. |
[Lestrange2015-xn] | P. J. Lestrange, F. Egidi, X. Li J. Chem. Phys. 143, 234103 (2015), doi: 10.1063/1.4937410. |
[Rizzo2011-to] |
|
[Dreuw2005-wp] | A. Dreuw, M. Head-Gordon Chem. Rev. 105, 4009 (2005), doi: 10.1021/cr0505627. |
[Norman2018-tn] |
|
[Verstraelen:2016] |
|
[Misquitta:2005:214103] | A. J. Misquitta and R. Podeszwa, J. Chem. Phys. 123, 214103 (2005). |
[Hesselmann:2005:014103] | A. Hesselmann and G. Jansen, J. Chem. Phys. 122, 014103 (2005). |
[Hesselmann:2014:094107] | A. Hesselmann and T. Korona, J. Chem. Phys. 141, 094107 (2014). |