Abstract

An approximation for calculating the correlation energy is proposed which lies intermediate between the independent electron pair approximation and the total pair-excited variational wave function. In this approximation the correlation contribution from each electron is calculated separately by constructing wave functions which include all the pair excitations of an electron occupying a particular reference orbital and the remaining electrons in the system. These fragments are then summed in order to obtain the total correlation energy. Some illustrative calculations on boron hydride are discussed.

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