Electron correlation studies by means of local-scaling transformations and electron-pair density functions

DOI10.1007/S10910-004-1465-5MaRDI QIDQ2485883zbMATH OpenOpenAlexWikidataFDO

Authors Elmer G. Valderrama, Jesus M. Ugalde

Publication date 5 August 2005

Published in Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/s10910-004-1465-5

zbMATH Keywords

electron correlationlocal scalingelectron pair densityintracule

Mathematics Subject Classification ID

Molecular physics (81V55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Recommendations

• Bayesian approach to electron correlation in density functional theory
• Pair densities in density functional theory
• Chapter 13: Analytic approach and Monte Carlo sampling for electron correlations
• Bonds, lone pairs, and shells probed by means of on-top dynamical correlations
• An analytic expression for the electronic correlation term of the kinetic functional

Cites work

• Some Recent Advances in Density Matrix Theory

Cited in

(5)

• Coupling relations between molecular electronic and geometrical degrees of freedom in density functional theory and charge sensitivity analysis
• Pair densities in density functional theory
• A method for studying electron-density-based dynamics of many-electron systems in scaled cylindrical coordinates
• Bayesian approach to electron correlation in density functional theory
• Bonds, lone pairs, and shells probed by means of on-top dynamical correlations

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