Validation of convolution approximation to the thermal-average electron density

DOI10.1007/s10910-014-0425-yzbMath1311.82048OpenAlexW2009558621MaRDI QIDQ2263701

Tibor Koritsanszky, J. Robert Michael

Publication date: 19 March 2015

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

Full work available at URL: https://doi.org/10.1007/s10910-014-0425-y

zbMATH Keywords

convolutionelectron densityanisotropic displacement parametersbond critical point propertieslinear combination of atomic orbitals molecular orbitalmean square displacement amplitudes

Mathematics Subject Classification ID

Nuclear physics (81V35) Statistical mechanics of crystals (82D25) Atomic physics (81V45) Critical phenomena in equilibrium statistical mechanics (82B27)

Related Items (1)

Validation of convolution approximation to the thermal-average electron density

Uses Software

• GAUSSIAN

Cites Work

• Unnamed Item
• Validation of convolution approximation to the thermal-average electron density
• Note on an Approximation Treatment for Many-Electron Systems
• Electronic wave functions - I. A general method of calculation for the stationary states of any molecular system

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