INDEX pseudopotential

Stuttgart Pseudopotentials (2011) http //www.theochem.uni-stuttgarLde/pseudopotentials/ index.en.html and the foregoing references (accessed 2001,2011)... 

The static dipole polarizabilities of alkali dimers have been calculated as a function of the internuclear distance and of the vibrational index for both their electronic ground state and lowest triplet state. The method is based on /-dependent pseudopotentials for atomic core representation, Gaussian basis sets, effective core potentials to account for core polarization, the evaluation of molecular orbitals by the restricted HF method, and then a full valence Cl treatment. For all alkali pairs, the parallel and perpendicular components of the ground state a at equilibrium distance Rg scale as the cube of Re, which can be related to a simple electrostatic model of an ellipsoidal charge distribution. So, for the ground state, the longitudinal polarizability exhibits a maximum at a distance corresponding to 1.3-1.5 times the equilibrium distance. 

Stuttgart-Cologne energy-consistent pseudopotentials [Internet]. Available from http //www.tc. uni-koeln.de/PP/index.en.html. 

---