Towards the Description of Covalent Bonds in Subsystem Density-Functional Theory

DOI10.1142/9789814436731_0010zbMath1378.82018OpenAlexW2490770330MaRDI QIDQ4591475

Christoph R. Jacob, Lucas Visscher

Publication date: 17 November 2017

Published in: Recent Progress in Orbital-free Density Functional Theory (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1142/9789814436731_0010

zbMATH Keywords

density-functional theorykinetic-energy functionalsfrozen-density embeddingKohn-Sham equations with constraint electron density

Mathematics Subject Classification ID

Statistical mechanics of polymers (82D60) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) NLS equations (nonlinear Schrödinger equations) (35Q55) Quantum equilibrium statistical mechanics (general) (82B10)

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