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Ab initio calculations in a uniform magnetic field using periodic supercells
1Lawrence Livermore National Laboratory, University of California, Livermore, CA 94550, USA.
Physical Review Letters
|June 1, 2004
Abstract:
We present a formulation of ab initio electronic structure calculations in a finite magnetic field, which retains the simplicity and efficiency of techniques widely used in first principles molecular dynamics simulations, based on plane-wave basis sets and Fourier transforms. In addition we discuss results obtained with this method for the energy spectrum of interacting electrons in quantum wells, and for the electronic properties of dense fluid deuterium in a uniform magnetic field.