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Uniform magnetic fields in density-functional theory
- Publication Year :
- 2017
-
Abstract
- We construct a density-functional formalism adapted to uniform external magnetic fields that is intermediate between conventional Density Functional Theory and Current-Density Functional Theory (CDFT). In the intermediate theory, which we term LDFT, the basic variables are the density, the canonical momentum, and the paramagnetic contribution to the magnetic moment. Both a constrained-search formulation and a convex formulation in terms of Legendre--Fenchel transformations are constructed. Many theoretical issues in CDFT find simplified analogues in LDFT. We prove results concerning $N$-representability, Hohenberg--Kohn-like mappings, existence of minimizers in the constrained-search expression, and a restricted analogue to gauge invariance. The issue of additivity of the energy over non-interacting subsystems, which is qualitatively different in LDFT and CDFT, is also discussed.
Details
- Database :
- arXiv
- Publication Type :
- Report
- Accession number :
- edsarx.1709.10400
- Document Type :
- Working Paper
- Full Text :
- https://doi.org/10.1063/1.5007300