Global ETD Search
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Showing 1 to 2 of 2 for “"dipole-bound states"”.
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Quartic Force Fields for Electronically Excited States of Interstellar Molecules
… inaccessible electronically excited states is presented herein using equation-of-motion (EOM) coupled cluster theory. The new EOM-based QFF is tested against the traditional QFF method using the isoformyl (HOC) radical’s variationally accessible 1 A” excited state and compared to …
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Theoretical Prediction of Electronically Excited States and Vibrational Frequencies of Interstellar and Planetary Radicals, Anions, and Cations
… work characterizes the electronically excited states of interstellar radicals, cations, and even rare anions and also predicts the gas phase fundamental vibrational frequencies of the cis and trans-HOCO radicals, as well as the cis-HOCO anion. First, open-shell coupled cluster methods of …