Gaussian-Type Orbital Calculations for High Harmonic Generation in Vibrating Molecules: Benchmarks for H2.
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DOI: 10.1021/acs.jctc.1c00837
Abstract: The response of the hydrogen molecular ion, H2+, to few-cycle laser pulses of different intensities is simulated. To treat the coupled electron-nuclear motion, we use adiabatic potentials computed with Gaussian-type basis sets together with a… read more here.
Keywords: nuclear motion; basis; time; type basis ... See more keywords