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The Kohn‐Sham Approach

Wolfram Koch, Max C. Holthausen

Open publisher page 6 citations

Abstract

Orbitals and the non-interacting reference system The Kohn-Sham equations Discussion The Kohn-Sham potential is local The exchange-correlation energy in the Kohn-Sham and Hartree-Fock schemes Do the Kohn-Sham orbitals mean anything? Is the Kohn-Sham approach a single determinant method? The unrestricted Kohn-Sham formalism On degeneracy, ensembles and other oddities Excited states and the multiplet problem

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Orbitals and the non-interacting reference system The Kohn-Sham equations Discussion The Kohn-Sham potential is local The exchange-correlation energy in the Kohn-Sham and Hartree-Fock schemes Do the Kohn-Sham orbitals mean anything? Is the Kohn-Sham approach a single determinant method? The unrestricted Kohn-Sham formalism On degeneracy, ensembles and other oddities Excited states and the multiplet problem

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OpenAlex reports 6 citations for this work. Citation counts describe recorded attention and do not establish research quality.

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Available abstract

Orbitals and the non-interacting reference system The Kohn-Sham equations Discussion The Kohn-Sham potential is local The exchange-correlation energy in the Kohn-Sham and Hartree-Fock schemes Do the Kohn-Sham orbitals mean anything? Is the Kohn-Sham approach a single determinant method? The unrestricted Kohn-Sham formalism On degeneracy, ensembles and other oddities Excited states and the multiplet problem

Key concepts: Kohn–Sham equations, Multiplet, Formalism (music), Atomic orbital, Degeneracy (biology), Excited state, Physics, Quantum mechanics

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