Veuillez choisir le dossier dans lequel vous souhaitez ajouter ce contenu :
Filtrer les résultats
Colloque
This paper examines the use of second-order perturbation theory in the interpretation and prediction of the signs of the interaction constants which are appended to the simple valance force potential functions. It is shown, for the large number of molecules considered here that complete agreement with the observed signs can be obtained by expanding the electronic Hamiltonian in terms of the normal coordinates of motion and by then assuming that only the lowest of the excited electronic states makes an appreciable contribution to the second-order sum in the expression for the energy. A knowledge of the symmetry of the transition …
