The intersecting-spheres model is a general approach to the calculation of the electronic structure of molecules and solids which adopts a one-electron local potential, an energy-independent trial function, and a cellular partition of space. It has been used with satisfactory results to determine the total energy and the ionization spectra of simple molecules. We report now results concerning the self-consistent band structure of Si and Ge, and we show that these results compare favorably with band structures calculated by the orthogonalized-plane-wave method, under the same assumption for the exchange and correlation potential.

Self-consistent calculation of the electronic structure of silicon and germanium using the intersecting-spheres model

MIHICH, LUIGI
1978-01-01

Abstract

The intersecting-spheres model is a general approach to the calculation of the electronic structure of molecules and solids which adopts a one-electron local potential, an energy-independent trial function, and a cellular partition of space. It has been used with satisfactory results to determine the total energy and the ionization spectra of simple molecules. We report now results concerning the self-consistent band structure of Si and Ge, and we show that these results compare favorably with band structures calculated by the orthogonalized-plane-wave method, under the same assumption for the exchange and correlation potential.
1978
The Physics category includes resources of a broad, general nature that contain materials from all areas of physics, The category also includes resources specifically concerned with the following physics sub-fields: mathematical physics, particle and nuclear physics, physics of fluids and plasmas, quantum physics, and theoretical physics.
Sì, ma tipo non specificato
Inglese
Internazionale
STAMPA
17
4
1859
1864
6
electronic structure of molecules and solids
http://prola.aps.org/abstract/PRB/v17/i4/p1859_1
2
info:eu-repo/semantics/article
262
S., Antoci; Mihich, Luigi
1 Contributo su Rivista::1.1 Articolo in rivista
none
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11571/111506
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