Title of article
Analytic Spin-Orbit Coupling Matrix Element Formulae in FLAPW Calculations
Author/Authors
Youn، نويسنده , , S.J. and Mannstadt، نويسنده , , Wolfgang and Freeman، نويسنده , , A.J.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2001
Pages
5
From page
387
To page
391
Abstract
The full-potential, linearized augmented, plane wave (FLAPW) method is used widely for accurate electronic structure calculations. For the electronic structure of solids with heavy elements, it is necessary to include spin-orbit coupling interactions. We present simple analytic formulae for calculating FLAPW spin-orbit matrix elements. These will serve to simplify the calculations and save computational time.
Journal title
Journal of Computational Physics
Serial Year
2001
Journal title
Journal of Computational Physics
Record number
1476671
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