搜索结果: 1-2 共查到“量子电子学 approximation”相关记录2条 . 查询时间(0.046 秒)
Local Density Approximation Description of Electronic Properties of Wurtzite Cadmium Sulfide (w-CdS)
w-CdS Ab-initio LDA-LCAO-BZW DFT Band gap Ground state
2010/11/22
We present calculated, electronic and related properties of wurtzite cadmium sulfide (w-CdS). Our ab-initio, non-relativistic calculations employed a local density functional approximation (LDA) poten...
Beyond the Random Phase Approximation for the Electron Correlation Energy: The Importance of Single Excitations
Beyond the Random Phase Approximation Electron Correlation Importance of Single Excitations
2010/11/22
The random phase approximation (RPA) for the electron correlation energy, combined with
the exact-exchange energy, represents the state-of-the-art exchange-correlation functional within density-funct...