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Local Enhancement of Dynamic Correlation in Excited States: Fresh Perspective on Ionicity and Development of Correlation Density Functional Approximation Based on the On-top Pair Density
Hapka, Michal, Pernal, Katarzyna, Gritsenko, Oleg V.Journal:
The Journal of Physical Chemistry Letters
DOI:
10.1021/acs.jpclett.0c01616
Date:
June, 2020
File:
PDF, 720 KB
2020