%0 Journal Article %1 Senekowitsch1988 %A Senekowitsch, J. %A Zilch, A. %A Carter, S. %A Werner, H. J. %A Rosmus, P. %A Botschwina, P. %D 1988 %J Chem. Phys. %K chemie imported werner from:alexanderdenzel theoretische stuttgart theochem %N 3 %P 375–386 %R 10.1016/0301-0104(88)80019-3 %T Theoretical calculations of the vibrational transition probabilities in hydrogen selenide %U http://dx.doi.org/10.1016/0301-0104(88)80019-3 %V 122 %X Three-dimensional ab initio dipole and potential energy functions for H₂Se have been calculated from highly correlated SCEP CEPA wavefunctions. First-order relativistic corrections according to the Cowan-Griffin approach, which retains only the mass velocity and one-electron Darwin terms, have been applied. These data have been used in perturbation and variational calculations of anharmonic vibration-rotation term values and wavefunctions. Radiative transition probabilities between vibrational levels up to about 10000 cm-1have been calculated from electric dipole transition matrix elements. It is found that the radiative lifetimes vary in a mode-specific way. © 1988.

@article{Senekowitsch1988, abstract = {Three-dimensional ab initio dipole and potential energy functions for H₂Se have been calculated from highly correlated SCEP CEPA wavefunctions. First-order relativistic corrections according to the Cowan-Griffin approach, which retains only the mass velocity and one-electron Darwin terms, have been applied. These data have been used in perturbation and variational calculations of anharmonic vibration-rotation term values and wavefunctions. Radiative transition probabilities between vibrational levels up to about 10000 cm-1have been calculated from electric dipole transition matrix elements. It is found that the radiative lifetimes vary in a mode-specific way. {\textcopyright} 1988.}, added-at = {2019-03-01T15:49:40.000+0100}, author = {Senekowitsch, J. and Zilch, A. and Carter, S. and Werner, H. J. and Rosmus, P. and Botschwina, P.}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/2868d01a733370e471082bd1da8a92325/theochem}, doi = {10.1016/0301-0104(88)80019-3}, interhash = {b806c46885c0d82667deabdadb60286c}, intrahash = {868d01a733370e471082bd1da8a92325}, issn = {03010104}, journal = {Chem. Phys.}, keywords = {chemie imported werner from:alexanderdenzel theoretische stuttgart theochem}, month = jun, number = 3, pages = {375–386}, timestamp = {2019-03-01T14:49:40.000+0100}, title = {{Theoretical calculations of the vibrational transition probabilities in hydrogen selenide}}, url = {http://dx.doi.org/10.1016/0301-0104(88)80019-3}, volume = 122, year = 1988 }