On the infinitude of non–zero eigenvalues of the single–electron density matrix for atoms and molecules

DOI10.1098/RSPA.2002.1027MaRDI QIDQ4470762zbMATH OpenOpenAlexFDO

Authors Gero Friesecke

Publication date 15 June 2004

Published in Proceedings of the Royal Society of London. Series A: Mathematical and Physical Sciences (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1098/rspa.2002.1027

Mathematics Subject Classification ID

Selfadjoint operator theory in quantum theory, including spectral analysis (81Q10) Atomic physics (81V45) Molecular physics (81V55)

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Cited in

(23)

• Global-in-time existence of solutions to the multiconfiguration time-dependent Hartree-Fock equations: a sufficient condition
• Eigenvalue estimates for the one-particle density matrix
• Eigenvalue asymptotics for the one-particle density matrix
• Eigenvalue asymptotics for the one-particle kinetic energy density operator
• On the spectrum of the one-particle density matrix
• Hohenberg-Kohn theorems for interactions, spin and temperature
• Stationarity of electron distribution in ground-state molecular systems
• Solutions of the multiconfiguration Dirac-Fock equations
• Comment on `Solutions to quasi-relativistic multi-configurative Hartree-Fock equations in quantum chemistry', by C. Argaez and M. Melgaard
• Spectral density distribution moments ofN-electron Hamiltonians in the low-density limit
• Atomic-pair theorem for universal matrix representatives of molecules and atomic clusters in non-relativistic Born-Oppenheimer approximation
• On the analyticity of electronic reduced densities for molecules
• One particle equations for many particle quantum systems: the MCTHDF method
• scientific article; zbMATH DE number 3209029 (Why is no real title available?)
• Internal and external eigenvalue problems of Hermitian operators and their use in electronic structure theory
• Two-electron wavefunctions are matrix product states with bond dimension three
• Incompleteness of atomic and molecular eigenfunctions
• Upper bounds of local electronic densities in molecules
• Solutions to quasi-relativistic multi-configurative Hartree-Fock equations in quantum chemistry
• Eigenvalue bounds for multi-particle reduced density matrices of coulombic wavefunctions
• Eigenvalue estimates for the Coulombic one-particle density matrix and the kinetic energy density matrix
• v-representability and Hohenberg-Kohn theorem for non-interacting Schrödinger operators with distributional potentials on the one-dimensional torus
• Setting and analysis of the multi-configuration time-dependent Hartree-Fock equations

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