Search

Categories

Theoretical and Computational Chemistry

(2)

Content Types

Working Paper

(2)

Published Date

Over 3 years

(2)

Keywords

Evolution of LCAO parameters in HF-SCF algorithm

Authors

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

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

Downloads

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

419

Downloads