Density functional theory in the solid state.
Density functional theory (DFT) has been used in many fields of the physical sciences, but none so successfully as in the solid state. From its origins in condensed matter physics, it has expanded into materials science, high-pressure physics and mineralogy, solid-state chemistry and more, powering...
Hauptverfasser: | Hasnip, P, Refson, K, Probert, M, Yates, JR, Clark, S, Pickard, C |
---|---|
Format: | Journal article |
Sprache: | English |
Veröffentlicht: |
2014
|
Ähnliche Einträge
Ähnliche Einträge
-
Density functional theory calculations of hydrogen-bond-mediated NMR J coupling in the solid state.
von: Joyce, SA, et al.
Veröffentlicht: (2008) -
Electron and vibrational spectroscopies using DFT, plane waves and pseudopotentials: CASTEP implementation
von: Milman, V, et al.
Veröffentlicht: (2010) -
Electron and vibrational spectroscopies using DFT, plane waves and pseudopotentials: CASTEP implementation
von: Milman, V, et al.
Veröffentlicht: (2010) -
Reproducibility in density functional theory calculations of solids
von: Lejaeghere, K, et al.
Veröffentlicht: (2016) -
A first principles theory of nuclear magnetic resonance J-coupling in solid-state systems.
von: Joyce, SA, et al.
Veröffentlicht: (2007)