Parallel DFT gradients using the Fourier Transform Coulomb method.

Jon Baker Krzysztof Wolinski Peter Pulay

Published in: J. Comput. Chem. (2007)

Keyphrases

fourier transform
discrete fourier transform
frequency domain
fourier domain
power spectral density
fast fourier transform
high quality
multiresolution
power spectrum
fourier analysis
signal processing
polar coordinates
correlation function
spectral estimation
lifting wavelet