Journal
CHEMICAL PHYSICS LETTERS
Volume 328, Issue 1-2, Pages 51-59Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/S0009-2614(00)00919-2
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Using non-orthogonal virtual and non-canonical (localized) occupied orbitals, a second-order many-body perturbation theory is formulated. The equations of interest are derived from the first-order Bloch equation by using an approach based on a bi-orthogonal basis and operators expressed in second-quantization. A wide variety of partitions of the Hamiltonian are permitted, since any one-body, non-diagonal, zeroth-order Hamiltonian H(0) may be used. A matrix formulation is also presented. (C) 2000 Published by Elsevier Science B.V.
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