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20062023
most citedMinimal Basis Iterative Stockholder: Atoms in Molecules for Force-Field Development

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physics.chem-ph2022★ 3 cited

Bivariational Principle for an Antisymmetrized Product of Nonorthogonal Geminals Appropriate for Strong Electron Correlation

Paul A. Johnson, Paul W. Ayers, Stijn De Baerdemacker +2

We develop a bivariational principle for an antisymmetric product of nonorthogonal geminals. Special cases reduce to the antisymmetric product of strongly-orthogonal geminals (APSG…