TY  - BOOK
AU  - Sholl, David S.
TI  - Density functional theory : a practical introduction
SN  - 9780470373170 (hbk)
U1  - 530.144 
PY  - 2009///
CY  - USA
PB  - John Wiley & Sons, Inc
KW  - Mathematical physics--Quantum chemistry--Density functionals
N1  - 1.	What is density functional theory?
2.	DFT calculations for simple solids 
3.	Nuts and bolts of DFT calculations 
4.	DFT calculations for surfaces of solids 
5.	DFT calculations of vibrational frequencies 
6.	Calculating rates of chemical processes using transition state theory
7.	Equilibrium phase diagrams from AB initio thermodynamics 
8.	Electronic structure and magnetic properties 
9.	Ab initio molecular dynamics 
10.	Accuracy and methods beyond “standard” calculations

ER  -