References
- T.E. Westre, P. Kennepohl, J.G. DeWitt, B. Hedman, K.O. Hodgson, and E.I. Solomon, J. Am. Chem. Soc. 119(27), 6297 (1997).
- S. DeBeer George, P. Brant, and E.I. Solomon, J. Am. Chem. Soc. 127(2), 667 (2005).
- A. Roe, D. Schneider, R. Mayer, J. Pyrz, J. Widom, and L. Que, Jr,J. Am. Chem. Soc. 106(6), 1676 (1984).
- M.H. Lim, J.U. Rohde, A. Stubna, M.R. Bukowski, M. Costas, R.Y. Ho, E. Münck, W. Nam, and L. Que, Proc. Nat. Acad. Sci. USA. 100(7), 3665 (2003).
- J.U. Rohde, T.A. Betley, T.A. Jackson, C.T. Saouma, J.C. Peters, and L. Que, Inorg. Chem. 46(14), 5720 (2007).
- M. Lundberg and T. Borowski, Coord. Chem. Rev. 257(1), 277 (2013).
- F.A. Lima, T.J. Penfold, R.M. van der Veen, M. Reinhard, R. Abela, I. Tavernelli, U. Rothlisberger, M. Benfatto, C.J. Milne, and M. Chergui, Phys. Chem. Chem. Phys. 16(4), 1617 (2014).
- B.O. Roos, P.R. Taylor, and P.E.M. Siegbahn, Chem. Phys. 48(2), 157 (1980).
- H.J. Aa. Jensen, P. Jørgensen, and H. Ågren, J. Chem. Phys. 87(1), 451 (1987).
- H. Ågren and H.J. Aa. Jensen, Chem. Phys. Lett. 137(5), 431 (1987).
- H. Ågren, A. Flores-Riveros, and H.J. Aa. Jensen, Phys. Scripta 40(6), 745 (1989).
- H. Ågren and H.J. Aa. Jensen, Chem. Phys. 172(1), 45 (1993).
- P.Å. Malmqvist, Int. J. Quantum Chem. 30(4), 479 (1986).
- J. Olsen, B.O. Roos, P. Jørgensen, and H.J.A. Jensen, J. Chem. Phys. 89(4), 2185 (1988).
- P.Å. Malmqvist, K. Pierloot, A.R.M. Shahi, C.J. Cramer, and L. Gagliardi, J. Chem. Phys. 128(20), 204109 (2008).
- R. Klooster, R. Broer, and M. Filatov, Chem. Phys. 395, 122–127 (2012).
- I. Josefsson, K. Kunnus, S. Schreck, A. Föhlisch, F. de Groot, P. Wernet, and M. Odelius, J. Phys. Chem. Lett. 3(23), 3565 (2012).
- S.I. Bokarev, M. Dantz, E. Suljoti, O. Kühn, and E.F. Aziz, Phys. Rev. Lett. 111(8), 083002 (2013).
- R.V. Pinjari, M.G. Delcey, M. Guo, M. Odelius, and M. Lundberg, J. Chem. Phys. 141(12), 124116 (2014).
- R.V. Pinjari, M.G. Delcey, M. Guo, M. Odelius, and M. Lundberg, J. Chem. Phys. 142(6), 069901 (2015).
- M. Guo, L.K. Sørensen, R.V. Pinjari, M.G. Delcey, and M. Lundberg, Phys. Chem. Chem. Phys. 18(4), 3250 (2015).
- S. Bernadotte, A.J. Atkins, and C.R. Jacob, J. Chem. Phys. 137(20), 204106 (2012).
- N.H. List, J. Kauczor, T. Saue, H.J. Aa. Jensen, and P. Norman, J. Chem. Phys. 142(24), 244111 (2015).
- N.H. List, T. Saue, and P. Norman, Mol. Phys. (2016).
- L.K. Sørensen, R. Lindh, and M. Lundberg, arXiv:1608.02399 (2016).
- S. DeBeer George, T. Petrenko, and F. Neese, Inorg. Chim. Acta 361(4), 965 (2008).
- P. J. Lestrange, F. Egidi, and X. Li, J. Chem. Phys. 143(23), 234103 (2015).
- A. Halkier, W. Klopper, T. Helgaker, and P. Jørgensen, J. Chem. Phys. 111(10), 4424 (1999).
- O. Christiansen, C. Hättig, and J. Gauss, J. Chem. Phys. 109(12), 4745 (1998).
- K.L. Bak, J. Gauss, T. Helgaker, P. Jørgensen, and J. Olsen, Chem. Phys. Lett. 319(5–6), 563 (2000).
- F. Aquilante, J. Autschbach, R.K. Carlson, L.F. Chibotaru, M.G. Delcey, L. De Vico, I. Fdez. Galvan, N. Ferré, L.M. Frutos, L. Gagliardi, M. Garavelli, A. Giussani, C.E. Hoyer, G. Li Manni, H. Lischka, D. Ma, P.Å. Malmqvist, T. Müller, A. Nenov, M. Olivucci, T.B. Pedersen, D. Peng, F. Plasser, B. Pritchard, M. Reiher, I. Rivalta, I. Schapiro, J. Segarra-Marti, M. Stenrup, D.G Truhlar, L. Ungur, A. Valentini, S. Vancoillie, V. Veryazov, V.P. Vysotskiy, O. Weingart, F. Zapata, and R. Lindh, J. Comput. Chem. 37(5), 506 (2016).
- P.Å. Malmqvist and B.O. Roos, Chem. Phys. Lett. 155(2), 189 (1989).
- P.Å. Malmqvist, B.O. Roos, and B. Schimmelpfennig, Chem. Phys. Lett. 357(3), 230 (2002).
- M. Douglas and N.M. Kroll, Ann. Phys. 82(1), 89 (1974).
- B.A. Hess, Phys. Rev. A 33(6), 3742 (1986).
- B.O. Roos, R. Lindh, P.Å. Malmqvist, V. Veryazov, and P.O. Widmark, J. Phys. Chem. A. 108(15), 2851 (2004).
- B.O. Roos, R. Lindh, P.Å. Malmqvist, V. Veryazov, and P.O. Widmark, J. Phys. Chem. A. 109(29), 6575 (2005).
- F. Aquilante, P.Å. Malmqvist, T.B. Pedersen, A. Ghosh, and B.O. Roos, J. Chem. Theory. Comput. 4(5), 694 (2008).
- Z. Warnke, E. Styczeń, D. Wyrzykowski, A. Sikorski, J. Kłak, and J. Mroziński, Struct. Chem. 21(2), 285 (2010).
- T. Yamamoto, X-Ray Spectrom. 37(6), 572 (2008).
- M.O. Krause and J. Oliver, J. Phys. Chem. Ref. Data. 8(2), 329 (1979).