| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394397 | Computational and Theoretical Chemistry | 2013 | 13 Pages |
Abstract
⺠A computationally practical antisymmetric product of nonorthogonal geminals wavefunction is proposed. ⺠A generalized Richardson eigenstate is a size-consistent, computationally efficient, model for strong correlation. ⺠Correlated wavefunctions for open shells based on geminals are proposed. ⺠The projected Schrödinger equation is used to determine the parameters in a nonorthogonal geminal product wavefunction. ⺠The APr2G wavefunction (antisymmetric product of rank two geminals) is proposed.
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Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Paul A. Johnson, Paul W. Ayers, Peter A. Limacher, Stijn De Baerdemacker, Dimitri Van Neck, Patrick Bultinck,