Electron correlation effects on Compton profiles of copper in the GW approximation |
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Authors: | Y Kubo |
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Institution: | Department of Physics, College of Humanities and Sciences, Nihon University, 3-25-40 Sakurajosui, Setagaya-ku, Tokyo 156-0045, Japan |
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Abstract: | The Compton profiles (CPs) of copper are calculated by the GW approximation with FLAPW basis sets on the LDA. In the quasiparticle band structure in the GW approximation, the width of fully occupied 3d valence band which is overestimated in the LDA, is in good agreement with experimental observation. The dynamical screening effects are important for band width narrowing. The occupation number densities are evaluated from the spectral function calculation within the GW calculations. The CPs obtained using these GW calculations successfully reproduce experimental results. |
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Keywords: | A Metals C Ab initio calculations D Electronic structure |
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