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Theoretical and Computational Chemistry

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totally non-interacting reference system

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2 results in Keywords: totally non-interacting reference system

Theoretical and Computational Chemistry

Quasi-linear dependence of Coulomb forces on coupling strength parameter in the non-relativistic electronic Schrödinger equation and its consequences in Hund’s rule, Mølle -Plesset perturbation- , virial - , Hohenberg-Kohn - and Koopmans theorem

Sandor Kristyan

Version 1 posted 07 September 2017

754

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Theoretical and Computational Chemistry

Generalization of Brillouin theorem for the non-relativistic electronic Schrödinger equation in relation to coupling strength parameter, and its consequences in single determinant basis sets for configuration interactions

Sandor Kristyan

Version 1 posted 07 September 2017

491

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