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evolution of LCAO parameters in HF-SCF algorithm

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2 results in Keywords: evolution of LCAO parameters in HF-SCF algorithm

Theoretical and Computational Chemistry

Quasi-Linear Buildup of Coulomb Integrals via the Coupling Strength Parameter in the Non-Relativistic Electronic Schrödinger Equation

Sandor Kristyan

Version 1 posted 19 August 2019

417

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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

731

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