Implementation of Ultrasoft Pseudopotentials in Density Functional Theory Coupled to Lippmann-Schwinger Equation
碩士 === 國立交通大學 === 電子物理系所 === 102 === In density functional theory(DFT),pseudopotentials can improve the efficiency of electronic-structure calculations because core electrons have been transformed away. Ultrasoft pseudopotentials (USPP) is even better than Norm conserving pseudopotentials(NCPP) in t...
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| Format: | Others |
| Language: | zh-TW |
| Published: |
2014
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| Online Access: | http://ndltd.ncl.edu.tw/handle/29198286898179666276 |