Comparative study of BSSE correction methods at DFT and MP2 levels of theory.

Béla Paizs Sándor Suhai

Published in: J. Comput. Chem. (1998)

Keyphrases

comparative study
preprocessing
computational cost
knn
database
knowledge base
multiscale
semi supervised
dimensionality reduction
signal processing
empirical studies
theoretical framework
qualitative and quantitative
mathematical models
levels of abstraction
mathematical foundations