A comprehensive study of the velocity, momentum and position matrix elements for Bloch states: Application to a local orbital basis

We present a comprehensive study of the velocity operator, $\hat{\boldsymbol{v}}=\frac{i}{\hbar} [\hat{H},\hat{\boldsymbol{r}}]\,$, when used in crystalline solids calculations. The velocity operator is key to the evaluation of a number of physical properties and its computation, both from a practic...

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Bibliographic Details
Main Author: Juan José Esteve-Paredes, Juan José Palacios
Format: Article
Language:English
Published: SciPost 2023-01-01
Series:SciPost Physics Core
Online Access:https://scipost.org/SciPostPhysCore.6.1.002

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