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1. Basics
Density Functional Theory for Pedestrians
Franz J. Vesely
ASPUS-Seminar, October 31, 2001
1. Basics
1.1 Functionals in Statistical Thermodynamics
1.2 Functional Differentiation
1.3 Basic Strategy of DFT
2. Exact Expressions for
2.1 Functional Integration
2.2 Hard Rods in a Vertical Tube - Shake Hard!
3. Approximations to
3.1 Local Density Approximation (LDA)
3.2 Square Gradient Approximation (SGA)
3.3 Weighted density Approximations (WDA)
4. Application to Liquid Crystals
4.1 Hard Spherocylinders
4.2 Ellipsoids and spheres
4.3 Outlook
5. Appendix 1: Proof of
Bibliography
About this document ...
Franz J. Vesely Oct 2001
See also:
"Computational Physics - An Introduction," Kluwer-Plenum 2001