Integral Re-use in the Numerical Calculation of Vibrational Frequencies in Ab Initio SCF Programs.

Ulrike Seebacher Michael Ramek

Published in: Comput. Chem. (1993)

Keyphrases

numerical calculation
numerical simulations
cognitive network
data sets
decision trees
three dimensional
genetic algorithm
learning algorithm
knowledge base
image sequences
programming environment
intermediate level
control structures
control program
provably correct