What Dominates the Error in the CaO Diatomic Bond Energy Predicted by Various Approximate Exchange–Correlation Functionals?

Title
What Dominates the Error in the CaO Diatomic Bond Energy Predicted by Various Approximate Exchange–Correlation Functionals?
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 10, Issue 6, Pages 2291-2305
Publisher
American Chemical Society (ACS)
Online
2014-05-10
DOI
10.1021/ct5000814

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