Many-Electron Systems with Constrained Current

Abstract

A formulation for transport in an inhomogeneous, interacting electron gas is described. Electronic current is induced by a constraint condition imposed as a vector Lagrange multiplier. Constrained minimization of the total energy functional on the manifold of an arbitrary constant current leads to a many-electron Schroedinger equation with a complex, momentum-dependent potential. Constant current Hartree-Fock and Kohn-Sham approximations are formulated within the method and application to transport for quantum wires is developed. No appeal is made to near equilibrium conditions or other approximations allowing development of a general ab initio electronic transport formulation.

References in corpus (2)

• Electron transmission through molecules and molecular interfaces
• ab initio modeling of open systems: charge transfer, electron conduction, and molecular switching of a C_{60} device

Cited by in corpus (7)

• Molecular Spintronics: Spin-Dependent Electron Transport in Molecular Wires
• Kohn-Sham equations for nanowires with direct current
• Schroedinger equation for current carrying states
• Lagrange multiplier based transport theory for quantum wires
• Current-constraining variational approaches to quantum transport
• Asymptotic non-equilibrium steady state operators
• Current Profiles of Molecular Nanowires; DFT Green Function Representation