3 159 227 159L227 159 227 159 electron localizability indicator forex 159ZM230 160. Electron localizability indicator for correlated wavefunctions.
The antisymmetric component is connected with the probability that two electrons are coupled to a triplet. On the basis of triplet-coupled electrons the electron localizability indicator is defined, describing the correlation of motion of electrons forming a triplet pair. Int J Quantum Chem 60: 875 3. Density-functional theory of atoms and molecules. Explicitly correlated wave functions in chemistry and physics: Theory and applications. Int J Quantum Chem 57: 501 3. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery JA Jr.