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Teaching and Implementation of the Hartree-Fock-Roothaan method for determining effective mass

Agencias de apoyo
Cristian A. Aguirre, Miryam R. Joya, J. Barba-Ortega, Universidad Nacional de Colombia, Departamento de Física

Resumen

One explanation of the phenomena associated to the behavior of electrons con- fined in a periodic lattice is proposed in this paper. The dynamics of the elec- trons can be determined more precisely using the mass effective approximation. We will carry this out using the Hartree-Fock-Roothaan method by emphasizing its usefulness in typical systems which requires this model for these calculations. An explanation and direct application of this method to a specific physics prob- lem is show in this paper. 

Palabras clave

Hartree-Fock-Roothaan, Effective mass, Confinement

PDF (English)

Biografía del autor/a

Jose Jose Barba Ortega

Departamennto de Fisica

Ph.D en Física


Referencias

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