ADF 2004.01
May 2004
IntroductionPlatforms
ADFspectra
ADFmovie
Chiral optical properties
Meta-GGA and hybrid xc energy functionals
New XC potentials
SIC potential
Improvements in grid generation
Geometry optimizations: new Hessian update and constraint options
Smoothing of gradients
Interface to NBO package
Expectation value S2
Spin-Orbit Coupling
ESR
Faster analytic second derivatives
Parallellization NMR and CPL programs
Major speed-ups for Fock matrix calculation
Time-dependent DFT code in BAND
TAPE10
DENSF
ADFview
ADFinput
Other
