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arxiv: cond-mat/0201346 · v2 · submitted 2002-01-18 · ❄️ cond-mat.str-el · cond-mat.mtrl-sci

A numerical canonical transformation approach to quantum many body problems

classification ❄️ cond-mat.str-el cond-mat.mtrl-sci
keywords approachcanonicalnumericalquantumbodycallchemistrydiagonalization
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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.

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