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Varsano, Daniele, Barborini, Matteo, Guidoni, Leonardo (2014) Kohn-Sham orbitals and potentials from quantum Monte Carlo molecular densities. The Journal of Chemical Physics, 140 (5). 54102pp. doi:10.1063/1.4863213

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Reference TypeJournal (article/letter/editorial)
TitleKohn-Sham orbitals and potentials from quantum Monte Carlo molecular densities
JournalThe Journal of Chemical Physics
AuthorsVarsano, DanieleAuthor
Barborini, MatteoAuthor
Guidoni, LeonardoAuthor
Year2014 (February 7)Volume140
Issue5
PublisherAIP Publishing
DOIdoi:10.1063/1.4863213Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID2370101Long-form Identifiermindat:1:5:2370101:4
GUID0
Full ReferenceVarsano, Daniele, Barborini, Matteo, Guidoni, Leonardo (2014) Kohn-Sham orbitals and potentials from quantum Monte Carlo molecular densities. The Journal of Chemical Physics, 140 (5). 54102pp. doi:10.1063/1.4863213
Plain TextVarsano, Daniele, Barborini, Matteo, Guidoni, Leonardo (2014) Kohn-Sham orbitals and potentials from quantum Monte Carlo molecular densities. The Journal of Chemical Physics, 140 (5). 54102pp. doi:10.1063/1.4863213
In(2014, February) The Journal of Chemical Physics Vol. 140 (5) AIP Publishing

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Klimeš, Jiří, Kresse, Georg (2014) Kohn-Sham band gaps and potentials of solids from the optimised effective potential method within the random phase approximation. The Journal of Chemical Physics, 140 (5). 54516pp. doi:10.1063/1.4863502
Zen, Andrea, Luo, Ye, Mazzola, Guglielmo, Guidoni, Leonardo, Sorella, Sandro (2015) Ab initio molecular dynamics simulation of liquid water by quantum Monte Carlo. The Journal of Chemical Physics, 142 (14). 144111pp. doi:10.1063/1.4917171
Boguslawski, Katharina, Jacob, Christoph R., Reiher, Markus (2013) Optimized unrestricted Kohn–Sham potentials from ab initio spin densities. The Journal of Chemical Physics, 138 (4). 44111pp. doi:10.1063/1.4788913
Ryabinkin, Ilya G., Staroverov, Viktor N. (2012) Determination of Kohn–Sham effective potentials from electron densities using the differential virial theorem. The Journal of Chemical Physics, 137 (16). 164113pp. doi:10.1063/1.4763481
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