Entanglement in the Born-Oppenheimer Approximation.
Sign Up to like & getrecommendations! Published in 2017 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.6b00959
Abstract: The role of electron-nuclear entanglement on the validity of the Born-Oppenheimer (BO) approximation is investigated. Although nonadiabatic couplings generally lead to entanglement and to a failure of the BO approximation, surprisingly the degree of electron-nuclear… read more here.
Keywords: entanglement born; born oppenheimer; approximation; oppenheimer approximation ... See more keywords
Born–Oppenheimer approximation in optical cavities: from success to breakdown†
Sign Up to like & getrecommendations! Published in 2020 at "Chemical Science"
DOI: 10.1039/d0sc05164k
Abstract: The coupling of a molecule and a cavity induces nonadiabaticity in the molecule which makes the description of its dynamics complicated. For polyatomic molecules, reduced-dimensional models and the use of the Born–Oppenheimer approximation (BOA) may… read more here.
Keywords: approximation optical; born oppenheimer; optical cavities; cavities success ... See more keywords