Comparison between the Full Frequency Integration and the GPP Model in ab-initio GW Calculation of Na Clusters

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  • Comparison between the Full Frequency Integration and the GPP Model in <I>ab-initio</I> GW Calculation of Na Clusters

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An ab initio calculation of electronic excitation energies based on the GW approximation is performed by using the all-electron mixed-basis approach. The generalized plasmon-pole (GPP) model is used to determine the electron self-energyand the results are compared with our previous results using the full frequency integration (S. Ishii, et al., Phys. Rev. B 63 155104 (2001)). It is found that the two methods with and without the GPP model agrees well in the case of sodium clusters.

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  • MATERIALS TRANSACTIONS

    MATERIALS TRANSACTIONS 42 (11), 2150-2152, 2001

    公益社団法人 日本金属学会

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