Gaussian-Type Orbital Calculations for High Harmonic Generation in Vibrating Molecules: Benchmarks for H2.
Sign Up to like & getrecommendations! Published in 2021 at "Journal of chemical theory and computation"
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
Interference effects due to nuclear motion of the hydrogen molecule
Sign Up to like & getrecommendations! Published in 2018 at "Physical Review A"
DOI: 10.1103/physreva.98.052136
Abstract: We show that two-particle interferences can be used to probe the nuclear motion in a doubly-excited hydrogen molecule. The dissociation of molecular hydrogen by electron impact involves several decay channels, associated to different molecular rotational… read more here.
Keywords: interference effects; hydrogen molecule; nuclear motion; hydrogen ... See more keywords