Orbital-Free Embedding Calculations of Electronic Spectra

DOI10.1142/9789814436731_0011zbMath1378.82034OpenAlexW2490394013MaRDI QIDQ4591476

Johannes Neugebauer

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_0011

zbMATH Keywords

electronic spectraquantum chemical calculationsAmsterdam density functional package (ADF)exciton-like model theoriesKohn-Sham-like one-particle equationstime-dependent subsystem-density-functional theory

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) Eigenvalues, singular values, and eigenvectors (15A18) NLS equations (nonlinear Schrödinger equations) (35Q55) Quantum dynamics and nonequilibrium statistical mechanics (general) (82C10) Molecular physics (81V55)

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