Preliminary Finite-Element Solution of a Self-consistent Density Functional Theory Formulation in Quantum Mechanics
碩士 === 國立交通大學 === 機械工程系所 === 92 === In the current study, we have used the finite element method (FEM) to solve a new formulation in density functional theory by Hsu [Hsu, 2003], in which, unlike Kohn-Sham equation, there is no exchange-correlation term, often requiring ad hoc assumption to close th...
| Main Authors: | , |
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| Other Authors: | |
| Format: | Others |
| Language: | en_US |
| Published: |
2004
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| Online Access: | http://ndltd.ncl.edu.tw/handle/xhxm3x |