%0 Journal Article %1 Rosmus1984 %A Rosmus, Pavel %A Werner, Hans Joachim %D 1984 %J J. Chem. Phys. %K chemie imported werner from:alexanderdenzel theoretische stuttgart theochem %N 10 %P 5085–5088 %R 10.1063/1.446579 %T Multireference-CI calculations of radiative transition probabilities in C₂₂ %U http://dx.doi.org/10.1063/1.446579 %V 80 %X Electronic transition moment functions for the dipole allowed transitions among the X 2 Σ g + , A 2 Π u , and B 2 Σ u + states of C 2 - have been calculated from highly correlated MCSCF-SCEP wave functions. Vibrational band transition probabilities for all bound-bound transitions have been evaluated, and radiative lifetimes of bound vibrational levels are obtained. For the B 2 Σ u + , υ′=0 state, the calculated lifetime of 76.5 ns is in excellent agreement with recent experimental values. Strong emission from the A 2 Π u state in the infrared spectral region is predicted. © 1984 American Institute of Physics.

@article{Rosmus1984, abstract = {Electronic transition moment functions for the dipole allowed transitions among the X 2 Σ g + , A 2 Π u , and B 2 Σ u + states of C 2 - have been calculated from highly correlated MCSCF-SCEP wave functions. Vibrational band transition probabilities for all bound-bound transitions have been evaluated, and radiative lifetimes of bound vibrational levels are obtained. For the B 2 Σ u + , υ′=0 state, the calculated lifetime of 76.5 ns is in excellent agreement with recent experimental values. Strong emission from the A 2 Π u state in the infrared spectral region is predicted. {\textcopyright} 1984 American Institute of Physics.}, added-at = {2019-03-01T15:49:39.000+0100}, author = {Rosmus, Pavel and Werner, Hans Joachim}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/2242d2ccb67980a25d32a2c136c84978a/theochem}, doi = {10.1063/1.446579}, interhash = {40e5384aaa7b7b1f48b50dc3f21b6fad}, intrahash = {242d2ccb67980a25d32a2c136c84978a}, issn = {00219606}, journal = {J. Chem. Phys.}, keywords = {chemie imported werner from:alexanderdenzel theoretische stuttgart theochem}, month = may, number = 10, pages = {5085–5088}, timestamp = {2019-03-01T14:49:39.000+0100}, title = {{Multireference-CI calculations of radiative transition probabilities in C₂₂}}, url = {http://dx.doi.org/10.1063/1.446579}, volume = 80, year = 1984 }