The calculation of electric dipole moments from the polarization propagator. Theory and application

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  • Jan Geertsen, Odense University
  • ,
  • F. Jensen
  • Gustavo E. Scuseria, University of Georgia
A method for computation of dipole moments from the polarization propagator is presented and applied to the HO molecule. Using extended basis sets it is shown that the coupled cluster singles doubles polarization propagator approximation (CCSDPPA) reproduces the experimental dipole moment to a high degree of accuracy
Original languageEnglish
JournalJournal of Chemical Physics
Volume91
Issue1
Pages (from-to)364-367
Number of pages4
ISSN0021-9606
DOIs
Publication statusPublished - 1989
Externally publishedYes

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