Construction of unique canonical coefficients for antisymmeterized geminal power states |
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Authors: | B. Weiner J. V. Ortiz |
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Affiliation: | 1. Department of Physics, Pennsylvania State University, DuBois, PA 15801;2. Department of Chemistry, Kansas State University, Manhattan, KS 66506-3701 |
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Abstract: | Coefficients often defined to be canonical for a given geminal may not be unique. In this article we show by carefully examining a theorem by B. Zumino how to construct unique canonical coefficients for a geminal. This result leads to expansions of antisymmeterized geminal power states solely in terms of natural generalized spin orbitals and positive geminal occupation numbers. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2004 |
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Keywords: | antisymmeterized geminal power general spin orbitals canonical form correlated one-particle theory |
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