References
- D.W. Davies, Theory of the Electric and Magnetic Properties of Molecules (John Wiley & Sons Ltd, Chichester, UK, 1967).
- A. Hinchliffe and R.W. Munn, Molecular Electromagnetism (John Wiley & Sons Ltd, Chichester, 1985).
- S.P.A. Sauer, Molecular Electromagnetism: A Computational Chemistry Approach (Oxford University Press, Oxford, UK, 2011).
- N.F. Ramsey, Phys. Rev. 77, 567 (1950). doi:10.1103/PhysRev.77.567
- N.F. Ramsey, Phys. Rev. 83, 540–541 (1951). doi:10.1103/PhysRev.83.540
- N.F. Ramsey, Phys. Rev. 78, 699–703 (1951). doi:10.1103/PhysRev.78.699
- N.F. Ramsey, Phys. Rev. 86, 243–246 (1952). doi:10.1103/PhysRev.86.243
- N.F. Ramsey and E.M. Purcell, Phys. Rev. 85, 143–144 (1952). doi:10.1103/PhysRev.85.143
- N.F. Ramsey, Phys. Rev. 89, 527 (1953). doi:10.1103/PhysRev.89.527
- N.F. Ramsey, Phys. Rev. 90, 232–233 (1953). doi:10.1103/PhysRev.90.232
- N.F. Ramsey, Phys. Rev. 91, 303–307 (1953). doi:10.1103/PhysRev.91.303
- T. Helgaker, M. Jaszuński and K. Ruud, Chem. Rev. 99, 293–352 (1999). doi:10.1021/cr960017t
- T. Helgaker, S. Coriani, P. Jørgensen, K. Kristensen, J. Olsen and K. Ruud, Chem. Rev. 112, 543–631 (2012). doi:10.1021/cr2002239
- R. van Eldik and J. Harvey, Advances in Inorganic Chemistry. Theoretical and Computational Inorganic Chemistry (Academic Press, Waltham, MA, 2010).
- K. Ruud, H. Skaane, T. Helgaker, K.L. Bak and P. Jørgensen, J. Am. Chem. Soc. 116, 10135–10140 (1994). doi:10.1021/ja00101a036
- L. Pauling, J. Chem. Phys. 4, 673–677 (1936). doi:10.1063/1.1749766
- P. von Ragué Schleyer and H. Jiao, Pure Appl. Chem. 68, 209–218 (1996). doi:10.1351/pac199668020209
- H. Jiao, P. Von Ragué Schleyer, Y. Mo, M.A. McAllister and T.T. Tidwell, J. Am. Chem. Soc.119, 7075–7083 (1997). doi:10.1021/ja970380x
- R.L. Shoemaker and W.H. Flygare, J. Chem. Phys. 51, 2988–2991 (1969). doi:10.1063/1.1672447
- W.H. Flygare and R.C. Benson, Mol. Phys. 20, 225–250 (1971). doi:10.1080/00268977100100221
- P.A. Hyams, J. Gerratt, D.L. Cooper and M. Raimondi, J. Chem. Phys. 100, 4417–4431 (1994). doi:10.1063/1.466272
- S. Loibl, F.R. Manby and M. Schütz, Mol. Phys. 108, 477–485 (2010). doi:10.1080/00268970903580133
- P.J. Wilson, R.D. Amos and N.C. Handy, Mol. Phys. 97, 757–768 (1999). doi:10.1080/00268979909482876
- E.I. Tellgren, A.M. Teale, J.W. Furness, K.K. Lange, U. Ekström and T. Helgaker, J. Chem. Phys.140, 034101 (2014). doi:10.1063/1.4861427
- S. Reimann, A. Borgoo, E.I. Tellgren, A.M. Teale and T. Helgaker, J. Chem. Theory Comput. 13, 4089–4100 (2017). doi:10.1021/acs.jctc.7b00295
- S.P.A. Sauer, T. Enevoldsen and J. Oddershede, J. Chem. Phys. 98, 9748–9757 (1993). doi:10.1063/1.464353
- S.M. Cybulski and D.M. Bishop, J. Chem. Phys. 106, 4082–4090 (1997). doi:10.1063/1.473123
- S.M. Cybulski and D.M. Bishop, Mol. Phys. 93, 739–750 (1998). doi:10.1080/002689798168754
- J. Gauss, K. Ruud and M. Kállay, J. Chem. Phys. 127, 074101 (2007). doi:10.1063/1.2755664
- K. Ruud, T. Helgaker, K.L. Bak, P. Jørgensen and J. Olsen, Chem. Phys. 195, 157–169 (1995). doi:10.1016/0301-0104(95)00052-P
- K. Ruud, T. Helgaker and P. Jørgensen, J. Chem. Phys. 107, 10599–10606 (1997). doi:10.1063/1.474174
- S.M. Cybulski and D.M. Bishop, Mol. Phys. 76, 1289–1301 (1992). doi:10.1080/00268979200102081
- S.M. Cybulski and D.M. Bishop, J. Chem. Phys. 100, 2019–2026 (1994). doi:10.1063/1.467234
- S. Loibl and M. Schütz, J. Chem. Phys. 141, 024108 (2014). doi:10.1063/1.4884959
- T. Yoshizawa and M. Hada, J. Comput. Chem. 30, 2550–2566 (2009). doi:10.1002/jcc.v30:15
- K. Raghavachari, G.W. Trucks, J.A. Pople and M. Head-Gordon, Chem. Phys. Lett. 157, 479–483 (1989). doi:10.1016/S0009-2614(89)87395-6
- O.B. Lutnæs, A.M. Teale, T. Helgaker, D.J. Tozer, K. Ruud and J. Gauss, J. Chem. Phys. 131, 144104 (2009). doi:10.1063/1.3242081
- S. Lehtola, M. Dimitrova, H. Fliegl and D. Sundholm, J. Chem. Theory Comput. (2021). doi:10.1021/acs.jctc.0c01190.
- R.C. Lochan and M. Head-Gordon, J. Chem. Phys. 126, 164101 (2007). doi:10.1063/1.2718952
- F. Neese, T. Schwabe, S. Kossmann, B. Schirmer and S. Grimme, J. Chem. Theory Comput. 5, 3060–3073 (2009). doi:10.1021/ct9003299
- U. Bozkaya, J.M. Turney, Y. Yamaguchi, H.F. Schaefer and C.D. Sherrill, J. Chem. Phys. 135, 104103 (2011). doi:10.1063/1.3631129
- U. Bozkaya, J. Chem. Theory Comput. 10, 2371–2378 (2014). doi:10.1021/ct500231c
- D. Stück and M. Head-Gordon, J. Chem. Phys. 139, 244109 (2013). doi:10.1063/1.4851816
- R.M. Razban, D. Stück and M. Head-Gordon, Mol. Phys. 115, 2102–2109 (2017). doi:10.1080/00268976.2017.1284355
- T.N. Lan and T. Yanai, J. Chem. Phys. 138, 224108 (2013). doi:10.1063/1.4809983
- J. Lee and M. Head-Gordon, J. Chem. Theory Comput. 14, 5203–5219 (2018). doi:10.1021/acs.jctc.8b00731
- J. Lee and M. Head-Gordon, Phys. Chem. Chem. Phys. 21, 4763–4778 (2019). doi:10.1039/C8CP07613H
- J. Lee and M. Head-Gordon, J. Chem. Phys. 150, 244106 (2019). doi:10.1063/1.5097613
- L.W. Bertels, J. Lee and M. Head-Gordon, J. Phys. Chem. Lett. 10, 4170–4176 (2019). doi:10.1021/acs.jpclett.9b01641
- S. Sen and E.I. Tellgren, preprint, arXiv:2010/06042v1 (2020).
- F. London, J. Phys. Radium 8, 397–409 (1937). doi:10.1051/jphysrad:01937008010039700
- J. Vaara, Phys. Chem. Chem. Phys. 9, 5399–5418 (2007). doi:10.1039/b706135h
- B. Fornberg, Math. Comput. 51, 699–706 (1988). doi:10.1090/S0025-5718-1988-0935077-0
- S. Stopkowicz, J. Gauss, K.K. Lange, E.I. Tellgren and T. Helgaker, J. Chem. Phys. 143, 074110 (2015). doi:10.1063/1.4928056
- S. Lehtola, M. Dimitrova and D. Sundholm, Mol. Phys. (2019). doi:10.1080/00268976.2019.1597989.
- M. Beer, J. Kussmann and C. Ochsenfeld, J. Chem. Phys. 134, 074102 (2011). doi:10.1063/1.3526315
- T. Helgaker and P. Jørgensen, J. Chem. Phys. 95, 2595–2601 (1991). doi:10.1063/1.460912
- T.J.P. Irons, J. Zemen and A.M. Teale, J. Chem. Theory Comput. 13, 3636–3649 (2017). doi:10.1021/acs.jctc.7b00540
- T. Helgaker, P. Jørgensen and J. Olsen, Molecular Electronic Structure Theory (John Wiley & Sons Ltd, Chichester, 2000).
- H. Taketa, S. Huzinaga and K. O-ohata, J. Phys. Soc. Jpn. 21, 2313–2324 (1966). doi:10.1143/JPSJ.21.2313
- L.E. McMurchie and E.R. Davidson, J. Comput. Phys. 26, 218–231 (1978). doi:10.1016/0021-9991(78)90092-X
- M. Dupuis, J. Rys and H.F. King, J. Chem. Phys. 65, 111–116 (1976). doi:10.1063/1.432807
- H.F. King and M. Dupuis, J. Comput. Phys. 21, 144–165 (1976). doi:10.1016/0021-9991(76)90008-5
- P.M.W. Gill, B.G. Johnson and J.A. Pople, Int. J. Quantum Chem. 40, 745–752 (1991). doi:10.1002/(ISSN)1097-461X
- M. Head-Gordon and J.A. Pople, J. Chem. Phys. 89, 5777–5786 (1988). doi:10.1063/1.455553
- A. Pausch and W. Klopper, Mol. Phys. 118, e1736675 (2020). doi:10.1080/00268976.2020.1736675
- N.C. Handy, J.A. Pople, M. Head-Gordon, K. Raghavachari and G.W. Trucks, Chem. Phys. Lett. 164, 185–192 (1989). doi:10.1016/0009-2614(89)85013-4
- C.D. Sherrill, A.I. Krylov, E.F.C. Byrd and M. Head-Gordon, J. Chem. Phys. 109, 4171–4181 (1998). doi:10.1063/1.477023
- J.V. Ortiz, Int. J. Quantum Chem. 100, 1131–1135 (2004). doi:10.1002/(ISSN)1097-461X
- S. Loibl and M. Schütz, J. Chem. Phys. 137, 084107 (2012). doi:10.1063/1.4744102
- Y. Shao, et al. Mol. Phys. 113, 184–215 (2014). doi:10.1080/00268976.2014.952696
- E. Epifanovsky, A.T. Gilbert, X. Feng, J. Lee, Y. Mao, N. Mardirossian, P. Pokhilko, A.F. White, M.P. Coons, A.L. Dempwolff, et al. J. Chem. Phys. 155, 084801 (2021). doi:10.1063/5.0055522
- J. Lee, L.W. Bertels, D.W. Small and M. Head-Gordon, Phys. Rev. Lett. 123, 113001 (2019). doi:10.1103/PhysRevLett.123.113001
- J.G. Valatin, Phys. Rev. 122, 1012–1020 (1961). doi:10.1103/PhysRev.122.1012
- Inc., W. R. Mathematica, Champaign, IL (2021). https://www.wolfram.com/mathematica.
- M. Hô and J.M. Hernándes-Pérez, Math. J. 14, 1–14 (2012). doi:10.3888/tmj.14-3.
- M. Hô and J.M. Hernándes-Pérez, Math. J. 15, 1–10 (2013). doi:10.3888/tmj.15-1.
- M. Hô and J.M. Hernándes-Pérez, Math. J. 16, 1–13 (2014). doi:10.3888/tmj.16-9.
- K. Aidas, et al. WIREs Comput. Mol. Sci. 4, 269–284 (2014). doi:10.1002/wcms.1172
- J.F. Stanton, J. Gauss, L. Cheng, M.E. Harding, D.A. Matthews and P.G. Szalay, preprint. http://www.cfour.de.
- P.B. Lukins, A.D. Buckingham and G.L.D. Ritchie, J. Phys. Chem. 88, 2414–2418 (1984). doi:10.1021/j150655a047
- J.H.S Wang and W.H. Flygare, J. Chem. Phys. 52, 5636–5640 (1970). doi:10.1063/1.1672836
- D.H. Sutter and W.H. Flygare, J. Am. Chem. Soc. 91, 4063–4068 (1969). doi:10.1021/ja01043a007
- P. Pascal, Ann. Chim. Phys. 19, 5 (1910).
- W. Haberditzl, Angew. Chem. Int. Ed. 5, 288 (1966). doi:10.1002/(ISSN)1521-3773
- H.J. Dauben, J.D. Wilson and J.L. Laity, J. Am. Chem. Soc. 90, 811–813 (1968). doi:10.1021/ja01005a059
- R. Gershoni-Poranne and A. Stanger, Chem. Soc. Rev. 44, 6597–6615 (2015). doi:10.1039/C5CS00114E
- R. Guo, M.N. Uddin, L.S. Price and S.L. Price, J. Phys. Chem. A 124, 1409–1420 (2020). doi:10.1021/acs.jpca.9b07104
- N. Mardirossian and M. Head-Gordon, J. Chem. Phys. 144, 214110 (2016). doi:10.1063/1.4952647
- F. Weigend, M. Häser, H. Patzelt and R. Ahlrichs, Chem. Phys. Lett. 294, 143–152 (1998). doi:10.1016/S0009-2614(98)00862-8
- Y. Jung, T. Heine, P. Schleyer and M. Head-Gordon, J. Am. Chem. Soc. 126, 3132–3138 (2004). doi:10.1021/ja0351490
- P.B. Karadakov, M.A.H. Al-Yassiri and D.L. Cooper, Chem. Eur. J. 24, 16791–16803 (2018). doi:10.1002/chem.v24.63
- B. Braïda, E. Derat, S. Humbel, P.C. Hiberty and S. Shaik, Chem. Phys. Chem. 13, 4029–4030 (2012). doi:10.1002/cphc.v13.18
- U. Fleischer, W. W. Kutzelnigg, P. P. Lazzeretti and V. Muehlenkamp, J. Am. Chem. Soc. 116, 5298–5306 (1994). doi:10.1021/ja00091a039
- A. Rettig, D. Hait, L.W. Bertels and M. Head-Gordon, J. Chem. Theory Comput. 16, 7473–7489 (2020). doi:10.1021/acs.jctc.0c00986
- M. Loipersberger, L.W. Bertels, J. Lee and M. Head-Gordon, J. Chem. Theory Comput. 17, 5582–5599 (2021). doi:10.1021/acs.jctc.1c00469