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...
主要な著者: | Hasnip, P, Refson, K, Probert, M, Yates, JR, Clark, S, Pickard, C |
---|---|
フォーマット: | Journal article |
言語: | English |
出版事項: |
2014
|
類似資料
-
Density functional theory calculations of hydrogen-bond-mediated NMR J coupling in the solid state.
著者:: Joyce, SA, 等
出版事項: (2008) -
Electron and vibrational spectroscopies using DFT, plane waves and pseudopotentials: CASTEP implementation
著者:: Milman, V, 等
出版事項: (2010) -
Electron and vibrational spectroscopies using DFT, plane waves and pseudopotentials: CASTEP implementation
著者:: Milman, V, 等
出版事項: (2010) -
Reproducibility in density functional theory calculations of solids
著者:: Lejaeghere, K, 等
出版事項: (2016) -
A first principles theory of nuclear magnetic resonance J-coupling in solid-state systems.
著者:: Joyce, SA, 等
出版事項: (2007)