We present non-Born-Oppenheimer quantum-mechanical calculations of the behavior of isolated molecules of the [Formula presented] isotopomer series in static electric fields. Some conceptual aspects of such calculations are discussed. The values for polarizabilities and hyperpolarizabilities of the [Formula presented] isotopomers which we present are the first ever fully nonadiabatic calculated values of these properties.
ASJC Scopus subject areas
- Physics and Astronomy(all)