New N-representability results with symmetry in molecular quantum chemistry

DOI10.1023/A:1019106516542MaRDI QIDQ1569727zbMATH OpenOpenAlexFDO

Authors Olivier Bokanowski

Publication date 6 July 2000

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

Full work available at URL https://doi.org/10.1023/a:1019106516542

zbMATH Keywords

deformations of density functionsdensity-functional theoryJacobian problemsymmetry group of a moleculetotally symmetric density function

Mathematics Subject Classification ID

Hamilton-Jacobi theories (49L99) Finite-dimensional groups and algebras motivated by physics and their representations (81R05) Molecular physics (81V55)

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Cited in

(7)

• Fuzzy symmetries for linear molecules and their molecular orbitals
• Generalized chirality and symmetry deficiency
• ON THE N-REPRESENTABILITY AND UNIVERSALITY OF F[ρ] IN THE HOHENBERG-KOHN-SHAM VERSION OF DENSITY FUNCTIONAL THEORY
• Symmetrisation of molecular Dirac eigenfunctions
• A DECOMPOSITION THEOREM FOR WAVE FUNCTIONS IN MOLECULAR QUANTUM CHEMISTRY
• Deformations of density functions in molecular quantum chemistry
• \texttt{IrRep}: symmetry eigenvalues and irreducible representations of \textit{ab initio} band structures

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