Operator spectrum transformation in Hartree-Fock and Kohn-Sham equations

DOI10.1134/s1064562423700412MaRDI QIDQ6112959

A. A. Kovalishin, A. A. Danshin

Publication date: 10 July 2023

Published in: Doklady Mathematics (Search for Journal in Brave)

zbMATH Keywords

eigenvalue problemdensity functional theoryHartree-Fock method

Mathematics Subject Classification ID

Spectral theory and eigenvalue problems for partial differential equations (35Pxx) Numerical methods for partial differential equations, initial value and time-dependent initial-boundary value problems (65Mxx) Numerical methods for partial differential equations, boundary value problems (65Nxx)

Cites Work

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• Chebyshev-filtered subspace iteration method free of sparse diagonalization for solving the Kohn-Sham equation
• Self-consistent-field calculations using Chebyshev-filtered subspace iteration
• Electronic Structure

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