Molecular dynamics with constrained nuclear electronic orbital density functional theory: {Accurate|Correct|Precise} vibrational spectra from {efficient|effective} incorporation of nuclear quantum effects
Nuclear quantum effects play a {crucial|essential|vital|critical|important} {role|function|part} in {many|numerous|several|a lot of|quite a few|lots of} chemical and biological systems involving hydrogen atoms {yet|however|but} are {difficult|tough|challenging|hard|tricky|complicated} to {include|consist of|contain|incorporate|include things like|involve} in…