Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5382675 | Chemical Physics Letters | 2013 | 4 Pages |
Abstract
⺠Transition dipole moments evaluated using QTAIM. ⺠Necessity to include both atomic charges and atomic dipoles. ⺠Separation of inter-atomic charge transfers and intra-atomic ones (polarization).
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Vincent Tognetti, Laurent Joubert,