Bond breaking in stretched molecules: multi-reference methods versus density functional theory
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Title
Bond breaking in stretched molecules: multi-reference methods versus density functional theory
Authors
Keywords
Multi-reference methods, Bond breaking, Density functionals, Kohn–Sham DFT, Mechanochemistry
Journal
THEORETICAL CHEMISTRY ACCOUNTS
Volume 135, Issue 3, Pages -
Publisher
Springer Nature
Online
2016-03-02
DOI
10.1007/s00214-016-1822-z
References
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