Minimizers for open-shell, spin-polarised Kohn-Sham equations for non-relativistic and quasi-relativistic molecular systems

DOI10.4310/MAA.2016.V23.N3.A4zbMATH Open1362.35277OpenAlexW2549283994MaRDI QIDQ502273FDOQ502273

Authors: Carlos Argáez, M. Melgaard 

Publication date: 3 January 2017

Published in: Methods and Applications of Analysis (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.4310/maa.2016.v23.n3.a4

Recommendations

• Existence of a minimizer for the quasi-relativistic Kohn-Sham model
• Existence of minimizers for Kohn-Sham models in quantum chemistry
• A numerical study of the extended Kohn-Sham ground states of atoms
• Existence of minimizers for Kohn-Sham within the local spin density approximation
• Solutions to quasi-relativistic multi-configurative Hartree-Fock equations in quantum chemistry

zbMATH Keywords

concentration-compactnessvariational methodsground stateopen-shellspin-polarised Kohn-Sham equations

Mathematics Subject Classification ID

Nonlinear elliptic equations (35J60) NLS equations (nonlinear Schrödinger equations) (35Q55) Integro-partial differential equations (35R09) Molecular physics (81V55) Nonlinear spectral theory, nonlinear eigenvalue problems (47J10) Applications of global analysis to the sciences (58Z05)

Cited In (4)

• Existence of a minimizer for the quasi-relativistic Kohn-Sham model
• Monotonicity properties of the quantum mechanical particle density: An elementary proof
• Existence of minimizers for Kohn-Sham models in quantum chemistry
• The minimum polarizability principle for spin states

This page was built for publication: Minimizers for open-shell, spin-polarised Kohn-Sham equations for non-relativistic and quasi-relativistic molecular systems

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q502273)