Computer Physics Communications Program LibraryPrograms in Physics & Physical Chemistry |

[Licence| Download | New Version Template] adpe_v1_0.tar.gz(20 Kbytes) | ||
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Manuscript Title: Electronic structure calculation for N-electron quantum dots. | ||

Authors: S.A. McCarthy, J.B. Wang, P.C. Abbott | ||

Program title: QDHartreeFock.nb v 1.0 | ||

Catalogue identifier: ADPE_v1_0Distribution format: tar.gz | ||

Journal reference: Comput. Phys. Commun. 141(2001)175 | ||

Programming language: Mathematica. | ||

Computer: DEC Alpha workstation500. | ||

RAM: 800K words | ||

Keywords: Hartree-Fock method, Quantum dot, Artificial atom, Electronic structure, Atomic physics, Wave function. | ||

Classification: 2.7. | ||

Nature of problem:Electronic structure of N-electrons confined in a quantum dot. | ||

Solution method:The Hartree-Fock self-consistent field method is applied to the physical problem. The Rayleigh-Ritz variational method is applied to solve the Hartree-Fock equations, using a mixture of analytic and numeric computational techniques. | ||

Restrictions:Restricted to circularly symmetric quantum dots; limited matrix (expansion) sizes. | ||

Unusual features:A simple input structure. Analytic reduction of direct and exchange integrals speeds up computation and improves accuracy. |

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