Journal Article 2 electron coupling Marcus theory 1 PS-LRC 1 Research Support, Non-U.S. Gov't 1 TDA 1 TDDFT 1 mehr ... barrier height 1 charge transfer number 1 charge-transfer excitation energy 1 electron transfer 1 excitation energy 1 fragment charge difference 1 generalization of Mulliken Hush 1 interaction energy 1 nonlinear optical property 1 pseudospectral 1 weniger ...