Symmetrized non-decomposable approximations of the non-additive kinetic energy functional
Author:
Affiliation:
1. Department of Physical Chemistry, University of Geneva 1 , Quai Ernest-Ansermet 30, CH-1211 Genève 4, Switzerland
2. Section of Mathematics, University of Geneva 2 , Rue du Conseil-Général 7-9, CP 64, CH-1211 Genève 4, Switzerland
Abstract
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
https://pubs.aip.org/aip/jcp/article-pdf/doi/10.1063/5.0143602/17238649/174107_1_5.0143602.pdf
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1. Self-consistently determined properties of solids without band-structure calculations
2. Frozen density functional approach for ab initio calculations of solvated molecules
3. Embedding a multideterminantal wave function in an orbital-free environment
4. Orbital-free effective embedding potential: Density-matrix functional theory case
5. On the Correlation Potential in Frozen-Density Embedding Theory
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