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Novel perspectives in quantum dynamics

Research paper by Fabien Gatti

Indexed on: 02 Dec '05Published on: 02 Dec '05Published in: Theoretical Chemistry Accounts



Abstract

In the field of theoretical chemistry, we focus on the sub-discipline of quantum dynamics. Special emphasis is placed on novel methods which can provide predictions for medium-sized and large systems and on the difficulties encountered when facing the huge dimension of the primitive basis within a quantum mechanical framework. We try to highlight the possibilities of applications of these methods to atmospheric or astrophysical spectroscopy and organic chemistry and to bring out general perspectives, in particular via comparisons with the electronic structure theory.