Asymptotic Correction Scheme to Semilocal Exchange-Correlation Functionals
碩士 === 國立臺灣大學 === 物理研究所 === 100 === Aiming to correct the asymptotic behavior of semilocal exchange-correlation (XC) functionals for finite system, we proposed a correction scheme, wherein an exchange energy density functional whose functional derivative has the exact −1/r asymptote can be added to...
| Main Authors: | , |
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| Other Authors: | |
| Format: | Others |
| Language: | en_US |
| Published: |
2012
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| Online Access: | http://ndltd.ncl.edu.tw/handle/j8k59b |