Restricted and unrestricted Hartree-Fock calculations of conductance for a quantum point contact

Contact Pairing Interaction for the Hartree- Fock-bogoliubov Calculations

Properties of density-dependent contact pairing interactions in nuclei are discussed. It is shown that the pairing interaction that is intermediate between surface and volume pairing forces gives the pairing gaps that are compatible with the experimental odd-even mass staggering. Results of the deformed Hartree-Fock-Bogoliubov calculations for this \mixed" pairing interaction, and using the tra...

Finite jellium models. I. Restricted Hartree-Fock calculations.

Restricted Hartree-Fock calculations have been performed on the Fermi configurations of n electrons confined within a cube. The self-consistent-field orbitals have been expanded in a basis of N particle-in-a-box wave functions. The difficult one- and two-electron integrals have been reduced to a small set of canonical integrals that are calculated accurately using quadrature. The total energy a...

Unrestricted Hartree-Fock theory of Wigner crystals

Wigner first predicted that a system of electrons in a uniform potential would crystallize at low densities. Localizing electrons around lattice sites increases their kinetic energy, but at sufficiently low densities the reduction in interaction energy is always greater. The Wigner crystal remains a theoretical prediction in three dimensions ~3D!, but in 2D Wigner crystals have been created on ...

Hartree-Fock calculations of a nite inhomogeneous quantum wire

Parallel scalability of Hartree-Fock calculations.

Quantum chemistry is increasingly performed using large cluster computers consisting of multiple interconnected nodes. For a fixed molecular problem, the efficiency of a calculation usually decreases as more nodes are used, due to the cost of communication between the nodes. This paper empirically investigates the parallel scalability of Hartree-Fock calculations. The construction of the Fock m...