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GPAW: An open Python package for electronic structure calculations.
J Chem Phys. 2024 Mar 7;160(9):092503. doi: 10.1063/5.0182685.
J Chem Phys. 2024.
PMID: 38450733
Charge Transfer Excitations with Range Separated Functionals Using Improved Virtual Orbitals.
Würdemann R, Walter M.
Würdemann R, et al.
J Chem Theory Comput. 2018 Jul 10;14(7):3667-3676. doi: 10.1021/acs.jctc.8b00238. Epub 2018 Jun 29.
J Chem Theory Comput. 2018.
PMID: 29894183
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Density functional theory and chromium: Insights from the dimers.
Würdemann R, Kristoffersen HH, Moseler M, Walter M.
Würdemann R, et al.
J Chem Phys. 2015 Mar 28;142(12):124316. doi: 10.1063/1.4915265.
J Chem Phys. 2015.
PMID: 25833588
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