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Chin. J. Semicond. > Volume 4 > Issue 6 > Article Number: 574

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考虑非局域势的Si能带的紧束缚计算

王永良 and 顾宗权

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Abstract: 在本文的Si能带的紧束缚计算中采用了s、p、d、f对称的类原子高斯轨道、并考虑了晶体赝势的非局域性.以每原子十个高斯轨道为基的紧束缚计算能精确地重复相应的平面波计算的结果.

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History

Manuscript received: 20 August 2015 Manuscript revised: Online: Published: 01 June 1983

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