Density-functional theory in strong magnetic fields

1987/11/16 by Giovanni Vignale, Mark Rasolt · 13 citations
Physics and Astronomy · Materials Science · #Advanced Condensed Matter Physics #Physics of Superconductivity and Magnetism #Magnetism in coordination complexes #Physics #Nabla symbol #Density functional theory #Energy (signal processing) #Mathematical physics #Paramagnetism #Magnetic field #Quantum mechanics #Omega

paper · doi:10.1103/physrevlett.59.2360

openalex publication_date 1987/11/16 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/17

Abstract

We formulate the current-density--functional theory for systems in arbitrarily strong magnetic fields. A set of self-consistent equations comparable to the Kohn-Sham equations for ordinary density-functional theory is derived, and proved to be gauge invariant and to satisfy the continuity equation. We prove that the exchange-correlation energy functional E_xc[n,j_p] [n(r) is the density and j_p(r) is the ``paramagnetic'' current density] depends on the current via the combination \ensuremathν(r)=\ensuremath∇\ifmmode×\else\texttimes\fi[j_p(r)/n(r)]. An explicit formula for E_xc is derived, which is local in \ensuremathν(r).

Citations

• Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalism
• A local exchange-correlation potential for the spin polarized case. i
• Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis
• Self-Consistent Equations Including Exchange and Correlation Effects

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