The Augmented Spherical Wave Method A Comprehensive Treatment /

• Κύριος συγγραφέας: Eyert, Volker (Συγγραφέας)
• Συγγραφή απο Οργανισμό/Αρχή: SpringerLink (Online service)
• Μορφή: Ηλεκτρονική πηγή Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Berlin, Heidelberg : Springer Berlin Heidelberg, 2007.
• Σειρά: Lecture Notes in Physics, 719
• Θέματα: Physics.; Chemistry, Physical and theoretical.; Condensed matter.; Condensed Matter Physics.; Numerical and Computational Physics.; Theoretical and Computational Chemistry.

The Augmented Spherical Wave (ASW) method is one of the most powerful approaches for handling the requirements of finite basis sets in DFT calculations. While it is particularly suited for the calculation of the electronic, magnetic, and optical properties of solid-state materials, recent developmen...

Πίνακας περιεχομένων:

• Introduction
• The Standard ASW Method
• Envelope Functions and Structure Constants
• The Plane-Wave Based Full-Potential ASW Method
• Details of the Standard ASW Method
• Details of the Envelope Functions
• Details of the Plane-Wave Based Full-Potential ASW Method
• Brillouin Integration
• Index.