Solutions to quasi-relativistic multi-configurative Hartree-Fock equations in quantum chemistry

DOI10.1016/J.NA.2011.08.038MaRDI QIDQ644209zbMATHOpenAlexFDO

Authors M. Melgaard, Carlos Argáez

Publication date 3 November 2011

Published in Nonlinear Analysis. Theory, Methods \& Applications. Series A: Theory and Methods (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.na.2011.08.038

zbMATH Keywords

multiple solutionssemilinear elliptic equationsPalais-Smale sequencesabstract critical point theorydensity operator techniques

Mathematics Subject Classification ID

Abstract critical point theory (Morse theory, Lyusternik-Shnirel'man theory, etc.) in infinite-dimensional spaces (58E05) Selfadjoint operator theory in quantum theory, including spectral analysis (81Q10) Molecular physics (81V55) Relativistic dynamics for problems in Hamiltonian and Lagrangian mechanics (70H40) Nonlinear spectral theory, nonlinear eigenvalue problems (47J10)

Recommendations

• Existence of infinitely many distinct solutions to the quasirelativistic Hartree-Fock equations
• Solutions of the multiconfiguration equations in quantum chemistry
• Solutions of the multiconfiguration Dirac-Fock equations
• Structures of sets of solutions to the Hartree-Fock equation
• The multiconfiguration equations for atoms and molecules: charge quantization and existence of solutions

Cites work

• scientific article; zbMATH DE number 5004622 (Why is no real title available?)
• scientific article; zbMATH DE number 4021970 (Why is no real title available?)
• scientific article; zbMATH DE number 468521 (Why is no real title available?)
• scientific article; zbMATH DE number 1071462 (Why is no real title available?)
• scientific article; zbMATH DE number 3229907 (Why is no real title available?)
• A Smooth Variational Principle With Applications to Subdifferentiability and to Differentiability of Convex Functions
• A general approach for multiconfiguration methods in quantum molecular chemistry
• Existence of a solution to Hartree-Fock equations with decreasing magnetic fields
• Existence of infinitely many distinct solutions to the quasirelativistic Hartree-Fock equations
• Finite Morse index solutions of exponential problems
• Hartree-Fock theory for pseudorelativistic atoms
• Higher energy solutions in the theory of phase transitions: A variational approach
• Morse indices at critical points related to the symmetric mountain pass theorem and applications
• Morse‐type information on palais‐smale sequences obtained by min‐max principles
• Multiple semiclassical standing waves for a class of nonlinear Schrödinger equations
• Multiple solutions for quasi-linear PDEs involving the critical Sobolev and Hardy exponents
• NON-RADIALLY SYMMETRIC SOLUTIONS FOR A SUPERLINEAR AMBROSETTI–PRODI TYPE PROBLEM IN A BALL
• Nontrivial solutions of operator equations and Morse indices of critical points of min-max type
• On the Hartree-Fock equations of the electron-positron field
• On the discrete spectrum of Hamiltonians for pseudo-relativistic electrons
• On the existence of bounded Palais–Smale sequences and application to a Landesman–Lazer-type problem set on ℝ^N
• On the existence of entire solutions to a class of semilinear elliptic equations on noncompact Riemannian manifolds
• On the infinitude of non–zero eigenvalues of the single–electron density matrix for atoms and molecules
• Periodic solutions for singular Hamiltonian systems and closed geodesics on non-compact Riemannian manifolds
• Perturbation theory for linear operators.
• Proof of the ionization conjecture in a reduced Hartree-Fock model
• Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction
• Solutions of Hartree-Fock equations for Coulomb systems
• Solutions of the multiconfiguration equations in quantum chemistry
• Spectral theory of the operator \((p^2+m^2)^{1/2}-Ze^2/r\)
• Stiefel and Grassmann manifolds in quantum chemistry
• The Dirichlet problem for superlinear elliptic equations
• The multiconfiguration equations for atoms and molecules: charge quantization and existence of solutions

Cited in

(26)

• Solutions of Hartree-Fock equations for Coulomb systems
• Normalized solutions for critical Schrödinger-Poisson system involving the \(p\)-subLaplacian in the Heisenberg group
• On fractional Schrödinger equations with Hartree type nonlinearities
• Solutions of the multiconfiguration Dirac-Fock equations
• Normalized solutions for the Schrödinger-Poisson system with doubly critical growth
• Solutions of the multiconfiguration equations in quantum chemistry
• Analytic structure of solutions to multiconfiguration equations
• The multiconfiguration equations for atoms and molecules: charge quantization and existence of solutions
• A general approach for multiconfiguration methods in quantum molecular chemistry
• Addendum and erratum to ``Solutions to quasi-relativistic multi-configurative Hartree-Fock equations in quantum chemistry [Nonlinear Anal. TMA 75 (2012) 384-404]
• Infinitely many free or prescribed mass solutions for fractional Hartree equations and Pohozaev identities
• Comment on `Solutions to quasi-relativistic multi-configurative Hartree-Fock equations in quantum chemistry', by C. Argaez and M. Melgaard
• Structures of sets of solutions to the Hartree-Fock equation
• Solution of partial quasipotential equations in the relativistic configuration representation
• Normalized ground states for the critical fractional Choquard equation with a local perturbation
• The compatible Grassmannian
• Existence of infinitely many distinct solutions to the quasirelativistic Hartree-Fock equations
• Normalized solutions for Schrödinger-Poisson type systems with critical nonlocal term
• Quasiclassic approximate solution of the Hartry-Fock equations in case of a closed electron shell
• Orbital stability of standing waves of a class of fractional Schrödinger equations with Hartree-type nonlinearity
• MULTICONFIGURATION HARTREE–FOCK THEORY FOR PSEUDORELATIVISTIC SYSTEMS: THE TIME-DEPENDENT CASE
• Minimizers for open-shell, spin-polarised Kohn-Sham equations for non-relativistic and quasi-relativistic molecular systems
• Asymptotic decay of solutions for sublinear fractional Choquard equations
• On some qualitative aspects for doubly nonlocal equations
• Toward chemical applications of Heaviside operational ansatz: exact solution of radial Schrödinger equation for nonrelativistic \(N\)-particle system with pairwise \({\frac{1}{r_{ij}}}\) radial potential in quantum phase space
• Stiefel and Grassmann manifolds in quantum chemistry

This page was built for publication: Solutions to quasi-relativistic multi-configurative Hartree-Fock equations in quantum chemistry

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q644209)