An EOM-CCSD-PCM Benchmark for Electronic Excitation Energies of Solvated Molecules.
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DOI: 10.1021/acs.jctc.6b01053
Abstract: In this work, we benchmark the equation of motion coupled cluster with single and double excitations (EOM-CCSD) method combined with the polarizable continuum model (PCM) for the calculation of electronic excitation energies of solvated molecules.… read more here.
Keywords: eom ccsd; excitation energies; ccsd pcm; pcm ... See more keywords