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Di Remigio, Roberto; Beerepoot, Maarten T. P.; Cornaton, Yann; Ringholm, Magnus; Steindal, Arnfinn Hykkerud; Ruud, Kenneth; Frediani, Luca

Open-ended formulation of self-consistent field response theory with the polarizable continuum model for solvation

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  • Media type: E-Article
  • Title: Open-ended formulation of self-consistent field response theory with the polarizable continuum model for solvation
  • Contributor: Di Remigio, Roberto; Beerepoot, Maarten T. P.; Cornaton, Yann; Ringholm, Magnus; Steindal, Arnfinn Hykkerud; Ruud, Kenneth; Frediani, Luca
  • imprint: Royal Society of Chemistry (RSC), 2017
  • Published in: Physical Chemistry Chemical Physics
  • Language: English
  • DOI: 10.1039/c6cp06814f
  • ISSN: 1463-9076; 1463-9084
  • Keywords: Physical and Theoretical Chemistry ; General Physics and Astronomy
  • Origination:
  • Footnote:
  • Description: <p>We present the first derivation and implementation of an open-ended SCF response theory framework including solvent effects to derive expressions for arbitrary order response functions and their residues, essential for evaluating multiphoton absorption cross sections.</p>