Low complexity algorithms for electronic structure calculations. (English) Zbl 0827.65082
This paper is concerned with electronic structure calculations which are based on Wannier, like localized orbitals or the related density matrix. Two classes of methods are presented in this paper: direct methods which calculate all quantities, such as the charge density, directly without the intermediate step of orbitals and localized orbital methods.
Reviewer: Laura-Iulia Aniţa (Iaşi)
MSC:
65L15 | Numerical solution of eigenvalue problems involving ordinary differential equations |
81V10 | Electromagnetic interaction; quantum electrodynamics |
34L10 | Eigenfunctions, eigenfunction expansions, completeness of eigenfunctions of ordinary differential operators |