Ab initio calculation of vibrational frequencies of AsO glass
We have used the density-functional theory to make models containing arsenic and oxygen atoms. The structures are optimized for the minimum energy of the Schrodinger equation. In this way, we obtain the bond distances and angles of the stable structures. We obtain the vibrational frequencies of each...
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| Main Authors: | , , , |
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| 格式: | Article |
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Elsevier
2010
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| 在线阅读: | http://eprints.um.edu.my/15156/ |
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