Abstract
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-energy and 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.
| Original language | English |
|---|---|
| Pages (from-to) | 2150-2152 |
| Number of pages | 3 |
| Journal | Materials Transactions |
| Volume | 42 |
| Issue number | 11 |
| DOIs | |
| Publication status | Published - 2001 Nov |
Keywords
- All electron
- GW approximation
- Generalized plasmon-pole model
- Mixed-basis approach
- Sodium cluster
- ab initio
ASJC Scopus subject areas
- Materials Science(all)
- Condensed Matter Physics
- Mechanics of Materials
- Mechanical Engineering
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Ishii, S., Ohno, K., & Kawazoe, Y. (2001). Comparison between the full frequency integration and the GPP model in ab-initio GW calculation of Na clusters. Materials Transactions, 42(11), 2150-2152. https://doi.org/10.2320/matertrans.42.2150