Multiconfiguration Pair-Density Functional Theory Is as...

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The Journal of Physical Chemistry Letters 2016 / 01

Multiconfiguration Pair-Density Functional Theory Is as Accurate as CASPT2 for Electronic Excitation

Hoyer, Chad E., Ghosh, Soumen, Truhlar, Donald G., Gagliardi, Laura
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Language:
english
Journal:
The Journal of Physical Chemistry Letters
DOI:
10.1021/acs.jpclett.5b02773
Date:
January, 2016
File:
PDF, 367 KB
english, 2016
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