Effects of contraction and reduction of basis set size on the He2 interaction energy components

The effect of basis set contraction and elimination of primitive Gaussian orbitals on the He2 interaction energy components have been studied within the SCF counterpoise corrected approach supplemented by a dispersion term calculated within the variation‐perturbation scheme. Despite elimination of a...

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Veröffentlicht in:	International journal of quantum chemistry 1988-11, Vol.34 (5), p.437-444
Hauptverfasser:	Roszak, S., Sokalski, W. A.
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic and molecular physics Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) Electronic structure of atoms, molecules and their ions: theory Exact sciences and technology Physics
Online-Zugang:	Volltext
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