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arXiv:cond-mat/0201346 · The Journal of Chemical Physics

Numerical canonical transformation approach to quantum many-body problems

Steven R. White

Published Oct 10, 2002• 140 citations
arXivHTMLPDF

Abstract

We present a new approach for numerical solutions of ab initio quantum chemistry systems. The main idea of the approach, which we call canonical diagonalization, is to diagonalize directly the second-quantized Hamiltonian by a sequence of numerical canonical transformations.
DOI
10.1063/1.1508370

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