%0 Journal Article %1 skomorowski:124117 %A Skomorowski, Wojciech %A Moszynski, Robert %D 2011 %I AIP %J The Journal of Chemical Physics %K chemistry degenerate perturbation quantum theory %N 12 %P 124117 %R 10.1063/1.3567306 %T Long-range interactions between an atom in its ground S state and an open-shell linear molecule %U http://link.aip.org/link/?JCP/134/124117/1 %V 134 %X Theory of long-range interactions between an atom in its ground S state and a linear molecule in a degenerate state with a nonzero projection of the electronic orbital angular momentum is presented. It is shown how the long-range coefficients can be related to the first and second-order molecular properties. The expressions for the long-range coefficients are written in terms of all components of the static and dynamic multipole polarizability tensor, including the nondiagonal terms connecting states with the opposite projection of the electronic orbital angular momentum. It is also shown that for the interactions of molecules in excited states that are connected to the ground state by multipolar transition moments additional terms in the long-range induction energy appear. All these theoretical developments are illustrated with the numerical results for systems of interest for the sympathetic cooling experiments: interactions of the ground state Rb(2S) atom with CO(3Π), OH(2Π), NH(1Δ), and CH(2Π) and of the ground state Li(2S) atom with CH(2Π).

@article{skomorowski:124117, abstract = {Theory of long-range interactions between an atom in its ground S state and a linear molecule in a degenerate state with a nonzero projection of the electronic orbital angular momentum is presented. It is shown how the long-range coefficients can be related to the first and second-order molecular properties. The expressions for the long-range coefficients are written in terms of all components of the static and dynamic multipole polarizability tensor, including the nondiagonal terms connecting states with the opposite projection of the electronic orbital angular momentum. It is also shown that for the interactions of molecules in excited states that are connected to the ground state by multipolar transition moments additional terms in the long-range induction energy appear. All these theoretical developments are illustrated with the numerical results for systems of interest for the sympathetic cooling experiments: interactions of the ground state Rb(2S) atom with CO(3Π), OH(2Π), NH(1Δ), and CH(2Π) and of the ground state Li(2S) atom with CH(2Π).}, added-at = {2011-07-12T00:43:38.000+0200}, author = {Skomorowski, Wojciech and Moszynski, Robert}, biburl = {https://www.bibsonomy.org/bibtex/231b16ca3907d68ab919692950231a85a/drmatusek}, description = {Long-range interactions between an atom in its ground S state and an open-shell linear molecule | Browse - Journal of Chemical Physics}, doi = {10.1063/1.3567306}, eid = {124117}, interhash = {20c95af178ec0435e9fc85d98e57d3aa}, intrahash = {31b16ca3907d68ab919692950231a85a}, journal = {The Journal of Chemical Physics}, keywords = {chemistry degenerate perturbation quantum theory}, month = {March}, number = 12, numpages = {14}, pages = 124117, publisher = {AIP}, timestamp = {2012-07-08T04:47:04.000+0200}, title = {Long-range interactions between an atom in its ground S state and an open-shell linear molecule}, url = {http://link.aip.org/link/?JCP/134/124117/1}, volume = 134, year = 2011 }