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Showing 1 to 2 of 2 for “"quartic force fields"”.
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Quartic Force Fields for Electronically Excited States of Interstellar Molecules
… to high-accuracy experimental results. Quartic force field (QFFs) methods are one of the most efficient means of generating this data and have even shown spectroscopic accuracy (±1 cm−1) for fundamental vibrational frequencies. A method for extending QFFs to variationally inaccessible …
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Theoretical Prediction of Electronically Excited States and Vibrational Frequencies of Interstellar and Planetary Radicals, Anions, and Cations
… chemical coupled cluster tech- niques and quartic force fields, all six fundamental vibrational frequencies for 1 ²A′ cis and trans-HOCO and 1 ¹A′ cis-HOCO⁻ are computed in the gas phase.