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Charged surfaces and slabs in periodic boundary conditions
MJ Rutter
Jan 28, 2022
Plane wave density functional theory codes generally assume periodicity in
all three dimensions. This causes difficulties when studying charged systems,
for instance energies per unit cell become infinite, and, even after...
Charged surfaces and slabs in periodic boundary conditions
M J Rutter
May 06, 2021
Abstract: Plane wave density functional theory codes generally assume periodicity in all three dimensions. This causes difficulties when studying charged systems, for instance energies per unit cell become infinite, and, even...
Charged surfaces and slabs in periodic boundary conditions
M J Rutter
Apr 09, 2021
Abstract: Plane wave density functional theory codes generally assume periodicity in all three dimensions. This causes difficulties when studying charged systems, for instance energies per unit cell become infinite, and, even...
Charged surfaces and slabs in periodic boundary conditions
M J Rutter
Apr 09, 2021
Abstract: Plane wave density functional theory codes generally assume periodicity in all three dimensions. This causes difficulties when studying charged systems, for instance energies per unit cell become infinite, and, even...
Charged surfaces and slabs in periodic boundary conditions
M J Rutter
May 06, 2021
Abstract: Plane wave density functional theory codes generally assume periodicity in all three dimensions. This causes difficulties when studying charged systems, for instance energies per unit cell become infinite, and, even...