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Analytic derivatives for the XYG3 type of doubly hybrid density functionals: Theory, implementation, and assessment.
Neil Qiang Su
Igor Ying Zhang
Xin Xu
Published in:
J. Comput. Chem. (2013)
Keyphrases
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higher order
theoretical framework
implementation details
general theory
computational model
information theory
quality assessment
theoretical basis
computer vision
decision making
special case
hybrid learning
multiple types