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Parallel coupled perturbed CASSCF equations and analytic CASSCF second derivatives.
Timothy J. Dudley
Ryan M. Olson
Michael W. Schmidt
Mark S. Gordon
Published in:
J. Comput. Chem. (2006)
Keyphrases
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finite difference
higher order
computer architecture
parallel implementation
mathematical model
data sets
parallel execution
computer vision
search algorithm
parallel processing
massively parallel
parallel hardware
linear systems
finite element
original data
optical flow
social networks
real world