Polarizable continuum approach to solvated transient anions
نویسندگان
چکیده
منابع مشابه
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The theory and an implementation of the solvent contribution to the cubic response function for the polarizable continuum model for multiconfigurational self-consistent field wave functions is presented. The excited-state polarizability of benzene, para-nitroaniline, and nitrobenzene has been obtained from the double residue of the cubic response function calculated in the presence of an aceton...
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ژورنال
عنوان ژورنال: Journal of Physics: Conference Series
سال: 2012
ISSN: 1742-6588,1742-6596
DOI: 10.1088/1742-6596/388/5/052068