FINITENESS OF THE NUMBER OF CRITICAL VALUES OF THE HARTREE-FOCK ENERGY FUNCTIONAL LESS THAN A CONSTANT SMALLER THAN THE FIRST ENERGY THRESHOLD

DOI10.2206/KYUSHUJM.75.277MaRDI QIDQ5030133zbMATH OpenOpenAlexFDO

Authors Sohei Ashida

Publication date 15 February 2022

Published in Kyushu Journal of Mathematics (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/2002.07426

zbMATH Keywords

nonlinear eigenvalue problemcritical valuesHartree-Fock equations

Mathematics Subject Classification ID

Nonlinear eigenvalue problems and nonlinear spectral theory for PDEs (35P30) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Electromagnetic interaction; quantum electrodynamics (81V10) Critical phenomena in equilibrium statistical mechanics (82B27)

Abstract: We study the Hartree-Fock equation and the Hartree-Fock energy functional universally used in many-electron problems. We prove that the set of all critical values of the Hartree-Fock energy functional less than a constant smaller than the first energy threshold is finite. Since the Hartree-Fock equation which is the corresponding Euler-Lagrange equation is a system of nonlinear eigenvalue problems, the spectral theory for linear operators is not applicable. The present result is obtained establishing the finiteness of the critical values associated with orbital energies less than a negative constant and combining the result with the Koopmans' well-known theorem. The main ingredients are the proof of convergence of the solutions and the analysis of the Fr'echet second derivative of the functional at the limit point.

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Cited in

(5)

• Existence of Hartree-Fock excited states for atoms and molecules
• ORBITALLY STABLE STATES IN GENERALIZED HARTREE–FOCK THEORY
• scientific article; zbMATH DE number 4122926 (Why is no real title available?)
• scientific article; zbMATH DE number 4134568 (Why is no real title available?)
• Structures of sets of solutions to the Hartree-Fock equation

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