%0 Journal Article %1 publ9347641 %A Shiozaki, Toru %A Gyroffy, Werner %A Celani, Paolo %A Werner, Hans Joachim %D 2011 %J J. Chem. Phys. %K chemie imported werner from:alexanderdenzel theoretische stuttgart theochem %N 8 %R 10.1063/1.3633329 %T Communication: Extended multi-state complete active space second-order perturbation theory: Energy and nuclear gradients %U http://dx.doi.org/10.1063/1.3633329 %V 135 %X The extended multireference quasi-degenerate perturbation theory, proposed by Granovsky ［J. Chem. Phys. 134, 214113 (2011)］, is combined with internally contracted multi-state complete active space second-order perturbation theory (XMS-CASPT2). The first-order ...

@article{publ9347641, abstract = {The extended multireference quasi-degenerate perturbation theory, proposed by Granovsky ［J. Chem. Phys. 134, 214113 (2011)］, is combined with internally contracted multi-state complete active space second-order perturbation theory (XMS-CASPT2). The first-order ...}, added-at = {2019-03-01T15:49:42.000+0100}, author = {Shiozaki, Toru and Gyroffy, Werner and Celani, Paolo and Werner, Hans Joachim}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/2b129e0e0d687efa382a202de46adb386/theochem}, doi = {10.1063/1.3633329}, interhash = {2deaa5928b3583034851ecddcebaced2}, intrahash = {b129e0e0d687efa382a202de46adb386}, issn = {00219606}, journal = {J. Chem. Phys.}, keywords = {chemie imported werner from:alexanderdenzel theoretische stuttgart theochem}, number = 8, timestamp = {2019-03-01T14:49:42.000+0100}, title = {{Communication: Extended multi-state complete active space second-order perturbation theory: Energy and nuclear gradients}}, url = {http://dx.doi.org/10.1063/1.3633329}, volume = 135, year = 2011 }