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Quantifying Delocalization and Static Correlation Errors by..:

Xeno De Vriendt (11513626) ; Laurent Lemmens (11513629) ; Stijn De Baerdemacker (11513632)..
https://figshare.com/articles/journal_contribution/Quantifying_Delocalization_and_Static_Correlation_Errors_by_Imposing_Spin_Population_Redistributions_through_Constraints_on_Atomic_Domains/16725367. , 1753

Link: https://doi.org/10.1021/acs.jctc.1c00326.s001

RT Journal
T1 <Title>Quantifying Delocalization and Static Correlation Errors by Imposing (Spin)Population Redistributions through Constraints on Atomic Domains</Title>

UL https://suche.suub.uni-bremen.de/peid=base-ftsmithonian:oai:figshare.com:article_16725367&Exemplar=1&LAN=DE
				
A1 Xeno De Vriendt (11513626)
A1 Laurent Lemmens (11513629)
A1 Stijn De Baerdemacker (11513632)
A1 Patrick Bultinck (448475)
A1 Guillaume Acke (1914529)
YR 1753
K1 Biophysics
K1 Cell Biology
K1 Neuroscience
K1 Biotechnology
K1 static correlation error
K1 small hydrogen chains
K1 infinite bond distances
K1 different bonding distances
K1 static correlation errors
K1 spin ) populations
K1 approximate methods violate
K1 flat plane conditions
K1 plane conditions
K1 resulting n
K1 representable descriptions
K1 reference data
K1 proposed methodology
K1 many possible
K1 exact functional
K1 exact energies
K1 computationally illustrate
K1 chemical insight
K1 characterized sufficiently
K1 atomic domains
JF https://figshare.com/articles/journal_contribution/Quantifying_Delocalization_and_Static_Correlation_Errors_by_Imposing_Spin_Population_Redistributions_through_Constraints_on_Atomic_Domains/16725367
LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.1c00326.s001
DO https://doi.org/10.1021/acs.jctc.1c00326.s001
SF ELIB - SuUB Bremen

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