Estimating electron correlation energies of A2 from A− and A+ ionic units with a simple scaling approach
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1490341
Reference23 articles.
1. Note on an Approximation Treatment for Many-Electron Systems
2. On the Use of the Cluster Expansion and the Technique of Diagrams in Calculations of Correlation Effects in Atoms and Molecules
3. Correlation Problem in Many-Electron Quantum Mechanics I. Review of Different Approaches and Discussion of Some Current Ideas
4. Note on the choice of basis set in density functional theory calculations for electronic structures of molecules (test on the atoms from the first three rows of the periodic table (2 ⩽ N ⩽ Z ⩽ 18), water, ammonia and pyrrole)
5. Immediate estimation of correlation energy for molecular systems from the partial charges on atoms in the molecule
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1. Study on pair correlation energies of isoelectronic systems F−, HF and H2F+;Chinese Journal of Chemistry;2010-08-26
2. Additivity of Group Contribution of Electron Correlation Energies in Linear Alkyl Fluorides;Acta Physico-Chimica Sinica;2009
3. Group Contribution Model for Estimate of Correlation Energies of Linear Alkyl Alcohols;Chinese Journal of Chemistry;2008-04
4. Scaling ionic partition scheme for estimate of electron correlation energy of AB polar covalent molecules;Chemical Physics Letters;2004-03
5. Is there any group additive rules in the calculation of electron correlation energies of long straight chain alkane molecules?;The Journal of Chemical Physics;2004-02-08
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