Proceedings of the NATO Advanced Study Institute, held in Cetraro (CS) Italy, from 1-12 September 1998In all calculations, the Chebychev polynomial expansion of the time evolution operator is used . The rotational vibrational ground state wave function of the electronic ground state is taken as the initial wave packet for the propagation on theanbsp;...
|Title||:||Metal-Ligand Interactions in Chemistry, Physics and Biology|
|Author||:||N. Russo, Dennis R. Salahub|
|Publisher||:||Springer Science & Business Media - 2012-12-06|