A new multiresolution scheme based on interpolating scaling function(ISF) on adaptive gridding(AG) shows promising in the first principle calculation. We also use ISFs on solving Poisson equation(PE), and find good approximations on the expansions of the second derivatives of ISFs. It is simpler than the wavelet scheme and fully implements the fast wavelet transformation so that the method is very suitable to problems with frequently updating charge density such as the first-principle calculation in electronic structures in atoms, molecules, and solids.
Although the scheme is similar to the AG scheme on real space, the ISFs can represent fields more effectively and it needs less grids than the scheme of real space does. This simple and effective method provides an alternative to both the real space and the wavelet methods in the first principle calculation. Also, The method can be easily parallelized due to the block structure of the grid layout.
| Identifer | oai:union.ndltd.org:NSYSU/oai:NSYSU:etd-0809107-192405 |
| Date | 09 August 2007 |
| Creators | Wang, Jen-chung |
| Contributors | I-Min Jiang, Tai-Fa Young, Tsan-Chuen Leung, Shiow-Fon Tsay, Wang-Chuang Kuo |
| Publisher | NSYSU |
| Source Sets | NSYSU Electronic Thesis and Dissertation Archive |
| Language | Cholon |
| Detected Language | English |
| Type | text |
| Format | application/pdf |
| Source | http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0809107-192405 |
| Rights | unrestricted, Copyright information available at source archive |
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