%0 Journal Article %1 publ9362825 %A Rosmus, P. %A Werner, H. J. %A Reinsch, E. A. %A Larsson, M. %D 1986 %J J. Electron Spectros. Relat. Phenomena %K chemie imported werner from:alexanderdenzel theoretische stuttgart theochem %N 2 %P 289–296 %R 10.1016/0368-2048(86)85009-5 %T Multireference CI calculations of radiative transition probabilities between low lying quartet states of the C₂⁺ ion %U http://dx.doi.org/10.1016/0368-2048(86)85009-5 %V 41 %X Potential energy functions for the ten lowest electronic states of the C₂⁺ ion have been calculated from correlated CASSCF and MC-CI electronic wavefunctions and used for derivation of the spectroscopic constants. The predicted values are expected to be accurate within 0.01 \AA for Re, 20-30 cm-1 for ωe and 0.05-0.1 eV for Te. For the three lowest quartet states the electronic transition moment functions have also been calculated. For the transitions among these states, radiative lifetimes and absorption oscillator strengths are given which should be accurate within about 15%. © 1986.

@article{publ9362825, abstract = {Potential energy functions for the ten lowest electronic states of the C₂⁺ ion have been calculated from correlated CASSCF and MC-CI electronic wavefunctions and used for derivation of the spectroscopic constants. The predicted values are expected to be accurate within 0.01 {\AA} for Re, 20-30 cm-1 for ωe and 0.05-0.1 eV for Te. For the three lowest quartet states the electronic transition moment functions have also been calculated. For the transitions among these states, radiative lifetimes and absorption oscillator strengths are given which should be accurate within about 15%. {\textcopyright} 1986.}, added-at = {2019-03-01T15:49:35.000+0100}, author = {Rosmus, P. and Werner, H. J. and Reinsch, E. A. and Larsson, M.}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/21c73d063116c6149017a0e2388d1a3bc/theochem}, doi = {10.1016/0368-2048(86)85009-5}, interhash = {1bef290337dc1991c3f41846eef590bb}, intrahash = {1c73d063116c6149017a0e2388d1a3bc}, issn = {03682048}, journal = {J. Electron Spectros. Relat. Phenomena}, keywords = {chemie imported werner from:alexanderdenzel theoretische stuttgart theochem}, number = 2, pages = {289–296}, timestamp = {2019-03-01T14:49:35.000+0100}, title = {{Multireference CI calculations of radiative transition probabilities between low lying quartet states of the C₂⁺ ion}}, url = {http://dx.doi.org/10.1016/0368-2048(86)85009-5}, volume = 41, year = 1986 }