Charged-cell periodic DFT simulations via an impurity model based on density embedding: Application to the ionization potential of liquid water
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Title
Charged-cell periodic DFT simulations via an impurity model based on density embedding: Application to the ionization potential of liquid water
Authors
Keywords
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Journal
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
Volume 119, Issue 1, Pages e25801
Publisher
Wiley
Online
2018-10-29
DOI
10.1002/qua.25801
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