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Which density functional is close to CCSD accuracy to describe geometry and interaction energy of small non-covalent dimers? A benchmark study using gaussian09.
Karunakaran Remya
Cherumuttathu H. Suresh
Published in:
J. Comput. Chem. (2013)
Keyphrases
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high accuracy
prediction accuracy
case study
empirical studies
computational cost
statistical analysis
real world
decision trees
three dimensional
wireless sensor networks
small number
user interaction
human computer interaction
gaussian mixture model
highly accurate