Compact two-electron wave function for bond dissociation and Van der Waals interactions: a natural amplitude assessment

Electron correlations in molecules can be divided in short range dynamical correlations, long range Van der Waals type interactions, and near degeneracy static correlations. In this work, we analyze for a one-dimensional model of a two-electron system how these three types of correlations can be inc...

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Veröffentlicht in:	The Journal of chemical physics 2014-05, Vol.140 (18), p.184108-184108
Hauptverfasser:	Giesbertz, Klaas J H, van Leeuwen, Robert
Format:	Artikel
Sprache:	eng
Schlagworte:	Amplitudes Correlation analysis CORRELATION FUNCTIONS ELECTRON CORRELATION ELECTRONS INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY INTERACTIONS Ions Mathematical models One dimensional models Physics VAN DER WAALS FORCES WAVE FUNCTIONS
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