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

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...

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Những tác giả chính: Aguirre Tellez, Cristian Andres, Barba Ortega, Jose Jose, R. Joya, Miryam
Định dạng: Online
Ngôn ngữ:eng
Được phát hành: Universidad Pedagógica y Tecnológica de Colombia 2017
Những chủ đề:
Truy cập trực tuyến:https://revistas.uptc.edu.co/index.php/ciencia_en_desarrollo/article/view/7062
Miêu tả
Tóm tắt: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.