Accurate atomic quantum defects from particle–particle random phase approximation

References

• E. Runge and E.K.U. Gross, Phys. Rev. Lett. 52, 997 (1984).
   Web of Science ®Google Scholar
• M.E. Casida, in Recent Developments and Applications of Modern Density Functional Theory, edited by J. Seminario (Elsevier, Amsterdam, 1996), volume 4 of Theoretical and Computational Chemistry, pp. 391–439.
   Google Scholar
• M. Petersilka, U.J. Gossmann, and E.K.U. Gross, Phys. Rev. Lett. 76, 1212 (1996).
   PubMed Web of Science ®Google Scholar
• C. Ullrich, Time-Dependent Density-Functional Theory: Concepts and Applications, Oxford Graduate Texts (OUP, Oxford, 2012).
   Google Scholar
• K. Burke, J. Werschnik, and E.K.U. Gross, J. Chem. Phys. 123, 062206 (2005).
   PubMed Web of Science ®Google Scholar
• D.J. Tozer and N.C. Handy, Phys. Chem. Chem. Phys. 2, 2117 (2000).
   Web of Science ®Google Scholar
• R.J. Cave, F. Zhang, N.T. Maitra, and K. Burke, Chem. Phys. Lett. 389, 39 (2004).
   Web of Science ®Google Scholar
• D.J. Tozer, R.D. Amos, N.C. Handy, B.O. Roos, and L. Serrano-Andres, Mol. Phys. 97, 859 (1999).
   Web of Science ®Google Scholar
• A. Dreuw, J.L. Weisman, and M. Head-Gordon, J. Chem. Phys. 119, 2943 (2003).
   Web of Science ®Google Scholar
• A. Dreuw and M. Head-Gordon, Chem. Rev. 105, 4009 (2005).
   PubMed Web of Science ®Google Scholar
• T. Leininger, H. Stoll, H.-J. Werner, and A. Savin, Chem. Phys. Lett. 275, 151 (1997).
   Web of Science ®Google Scholar
• H. Iikura, T. Tsuneda, T. Yanai, and K. Hirao, J. Chem. Phys. 115, 3540 (2001).
   Web of Science ®Google Scholar
• R. van Leeuwen and E.J. Baerends, Phys. Rev. A 49, 2421 (1994).
   PubMed Web of Science ®Google Scholar
• D.J. Tozer and N.C. Handy, J. Chem. Phys. 109, 10180 (1998).
   Web of Science ®Google Scholar
• M.E. Casida and D.R. Salahub, J. Chem. Phys. 113, 8918 (2000).
   Web of Science ®Google Scholar
• Q. Wu, P.W. Ayers, and W. Yang, J. Chem. Phys. 119, 2978 (2003).
   Web of Science ®Google Scholar
• M. Seaton, Rep. Prog Phys. 46, 167 (1983).
   Web of Science ®Google Scholar
• M. van Faassen and K. Burke, J. Chem. Phys. 124, 094102 (2006).
   PubMed Web of Science ®Google Scholar
• A. Sommerfeld, Ann Phys. 356, 1 (1916).
   Google Scholar
• R. Guérout, M. Jungen, and C. Jungen, J. Phys. B Atom. Mol. Opt. Phys. 37, 3043 (2004).
   Web of Science ®Google Scholar
• R. Guérout, M. Jungen, and C. Jungen, J. Phys. B Atom. Mol. Opt. Phys. 37, 3057 (2004).
   Web of Science ®Google Scholar
• I. D. Petsalakis, G. Theodorakopoulos, and R.J. Buenker, J. Chem. Phys. 119, 2004 (2003).
   Web of Science ®Google Scholar
• F. Merkt, Ann. Rev. Phys. Chem. 48, 675 (1997).
   PubMed Web of Science ®Google Scholar
• G. Herzberg, Ann. Rev. Phys. Chem. 38, 27 (1987).
   PubMed Web of Science ®Google Scholar
• A.I. Al-Sharif, R. Resta, and C.J. Umrigar, Phys. Rev. A 57, 2466 (1998).
   Web of Science ®Google Scholar
• M. van Faassen and K. Burke, Phys. Chem. Chem. Phys. 11, 4437 (2009).
   PubMed Web of Science ®Google Scholar
• A. Wasserman and K. Burke, Phys. Rev. Lett. 95, 163006 (2005).
   PubMed Web of Science ®Google Scholar
• M. van Faassen and K. Burke, Chem. Phys. Lett. 431, 410 (2006).
   Web of Science ®Google Scholar
• P. Ring and P. Schuck, The Nuclear Many-Body Problem, Physics and astronomy online library (Springer, New York, NY, 2004).
   Google Scholar
• J. Blaizot and G. Ripka, Quantum Theory of Finite Systems (MIT Press, Cambridge, MA, 1986).
   Google Scholar
• H. van Aggelen, Y. Yang, and W. Yang, Phys. Rev. A 88, 030501 (2013).
   Web of Science ®Google Scholar
• D. Peng, S.N. Steinmann, H. van Aggelen, and W. Yang, J. Chem. Phys. 139, 104112 (2013).
   PubMed Web of Science ®Google Scholar
• G.E. Scuseria, T.M. Henderson, and I.W. Bulik, J. Chem. Phys. 139, 104113 (2013).
   PubMed Web of Science ®Google Scholar
• Y. Yang, H. van Aggelen, S.N. Steinmann, D. Peng, and W. Yang, J. Chem. Phys. 139, 174110 (2013).
   PubMed Web of Science ®Google Scholar
• C.-M. Liegener, Chem. Phys. Lett. 90, 188 (1982).
   Web of Science ®Google Scholar
• S. Taioli, S. Simonucci, L. Calliari, and M. Dapor, Phys. Rep. 493, 237 (2010).
   Web of Science ®Google Scholar
• Y. Yang, H. van Aggelen, and W. Yang, J. Chem. Phys. 139, 224105 (2013).
   PubMed Web of Science ®Google Scholar
• Y. Yang, D. Peng, J. Lu, and W. Yang, J. Chem. Phys. 141, 124104 (2014).
   PubMed Web of Science ®Google Scholar
• Y. Yang, D. Peng, E.R. Davidson, and W. Yang, J. Phys. Chem. A 119, 4923 (2015).
   PubMed Web of Science ®Google Scholar
• D. Peng, H. van Aggelen, Y. Yang, and W. Yang, J. Chem. Phys. 140, 18A522 (2014).
   PubMed Web of Science ®Google Scholar
• H. van Aggelen, Y. Yang, and W. Yang, J. Chem. Phys. 140, 18A511 (2014).
   PubMed Web of Science ®Google Scholar
• D.J. Rowe, Rev. Mod. Phys. 40, 153 (1968).
   Web of Science ®Google Scholar
• T. Helgaker, P. Jørgensen, and J. Olsen, Molecular Electronic-Structure Theory (Wiley, Chichester, 2000).
   Google Scholar
• Q. Wu, A.J. Cohen, and W. Yang, Mol. Phys. 103, 711 (2005).
   Web of Science ®Google Scholar
• An in-house program for QM/MM simulations (http://www.qm4d.info).
   Google Scholar
• A.E. Kramida, Y. Ralchenko, J. Reader, and N.A. Team, NIST Atomic Spectra Database (version 5.0), 2012.
   Google Scholar
• M. van Faassen, A. Wasserman, E. Engel, F. Zhang, and K. Burke, Phys. Rev. Lett. 99, 043005 (2007).
   PubMed Web of Science ®Google Scholar