How accurate are TD-DFT excited-state geometries compared to DFT ground-state geometries?

Jun Wang Bo Durbeej

Published in: J. Comput. Chem. (2020)

Keyphrases

state space
data mining
image processing
frequency domain
information retrieval
artificial intelligence
e learning
bayesian networks
objective function
search algorithm
significant improvement
wavelet transform
computationally efficient
fourier transform
discrete fourier transform