Atomic diffraction by patterned holes in hexagonal boron nitride: A comparison between semi-classical and quantum computational models | Matter42 Literature
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Research paper
Computational DFTTheoretical
Atomic diffraction by patterned holes in hexagonal boron nitride: A comparison between semi-classical and quantum computational models
E. K. Osestad, E. Zossimova, M. Walter, J. Fiedler
Density functional theory calculations used to obtain screened atomic polarisabilities for hBN atoms, with PBE exchange-correlation and Tkatchenko-Scheffler dispersion corrections.
Settings
contextelectronic structure theory for Casimir-Polder interaction
Numerical solution of the time-dependent Schrödinger equation for helium matter-wave propagation through patterned hBN holes, together with semi-classical comparison and Kirchhoff diffraction reconstruction.
Density functional theory calculations used to obtain screened atomic polarisabilities for hBN atoms, with PBE exchange-correlation and Tkatchenko-Scheffler dispersion corrections.
Settings
contextelectronic structure theory for Casimir-Polder interaction
Numerical solution of the time-dependent Schrödinger equation for helium matter-wave propagation through patterned hBN holes, together with semi-classical comparison and Kirchhoff diffraction reconstruction.
Density functional theory calculations used to obtain screened atomic polarisabilities for hBN atoms, with PBE exchange-correlation and Tkatchenko-Scheffler dispersion corrections.
Settings
contextelectronic structure theory for Casimir-Polder interaction
Numerical solution of the time-dependent Schrödinger equation for helium matter-wave propagation through patterned hBN holes, together with semi-classical comparison and Kirchhoff diffraction reconstruction.
Density functional theory calculations used to obtain screened atomic polarisabilities for hBN atoms, with PBE exchange-correlation and Tkatchenko-Scheffler dispersion corrections.
Settings
contextelectronic structure theory for Casimir-Polder interaction
Numerical solution of the time-dependent Schrödinger equation for helium matter-wave propagation through patterned hBN holes, together with semi-classical comparison and Kirchhoff diffraction reconstruction.