E-mail a Wiley Online Library Link

V. N. Glushkov Excited and core-ionized state calculations with a local potential expressed in terms of the external potential International Journal of Quantum Chemistry 113

Version of Record online: 23 FEB 2012 | DOI: 10.1002/qua.24019

Thumbnail image of graphical abstract

The asymptotic projection approach coupled with the constrained optimized effective potential (COEP) method is applied to the study of excited and core-ionized states of atoms and simple molecules. This approach yields an excited Slater determinant that is constrained to be orthogonal to the low-lying N-electron functions. In the presented implementation the COEP method is capable reproducing fairly reasonably the behavior of potential energy curves near equilibrium distance.

Complete the form below and we will send an e-mail message containing a link to the selected article on your behalf

Required = Required Field