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About Cottenier DFT and LAPW 2nd
This document provides a step-by-step introduction to Density Functional Theory (DFT) and the family of linearized augmented plane wave (LAPW) methods, which are computational approaches used to solve the quantum many-body problem. It begins with an overview of DFT and how it maps the many-body problem onto an effective single-particle problem via the Kohn-Sham equations. It then discusses the pseudopotential method, augmented plane wave (APW) method, LAPW method, APW+lo method, and projector augmented wave (PAW) method for solving the Kohn-Sham equations. Examples are provided for using the WIEN2k code to perform DFT calculations
Detailed Information
| Author: | ['Diana AG'] |
|---|---|
| Publication Year: | 2018 |
| Pages: | 87 |
| Language: | English |
| Format: | |
| Price: | FREE |
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