Computational chemical methods in solid-state physics
id:
computational-chemical-methods-in-solid-state-physics-317-9851613
title:
Computational chemical methods in solid-state physics
text:
Computational chemical methods in solid-state physics follow the same approach as they do for molecules, but with two differences. First, the translational symmetry of the solid has to be utilised, and second, it is possible to use completely delocalised basis functions such as plane waves as an alternative to the molecular atom-centered basis functions. The electronic structure of a crystal is in general described by a band structure, which defines the energies of electron orbitals for each poi
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wiki
category slug:
encyclopedia
description:
original url:
https://en.wikipedia.org/wiki/Computational_chemical_methods_in_solid-state_physics
date created:
date modified:
2024-01-20T23:16:23Z
main entity:
{"identifier":"Q4119244","url":"https://www.wikidata.org/entity/Q4119244"}
image:
fields total:
13
integrity:
13