Abstract
It is possible to determine an approximate wave function of a molecular system by the requirement that the wave function should be invariant under certain kinds of improvements. This possibility is used for developing a method for the determination of molecular wave functions. The method makes possiblea) to avoid a considerable part of the difficulties of integration of the usual quantumchemical calculations,b) to obtain in some cases qualitative information about the accuracy of the wave function in certain regions of the configurational space,c) to find relations between different variational methods used in quantumchemical calculations. It is remarkable, that almost all the variational methods applied so far to problems of quantum chemistry — e. g. the method of energy variation and the method of local energies — can be formulated also in terms of the present method.
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