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Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.1c01036
Abstract: We have employed the highly accurate complex absorbing potential based ionization potential equation-of-motion coupled cluster singles and doubles (CAP-IP-EOM-CCSD) method to study the various intermolecular decay processes in ionized metals (Li+, Na+, K+) microsolvated by…
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Keywords:
potential based;
absorbing potential;
decay processes;
equation motion ... See more keywords