We discuss an approach to calculate electronic excitations in clusters, which starts from the determination of the ground state within density functional theory and the local density approximation, and subsequently yields electronic spectra from Green's function theory. These methods, which were ori
โฆ LIBER โฆ
First-principles approach to the calculation of electronic spectra in clusters
โ Scribed by Lucia Reining; Giovanni Onida; Stefan Albrecht
- Book ID
- 117627181
- Publisher
- Elsevier Science
- Year
- 1998
- Tongue
- English
- Weight
- 370 KB
- Volume
- 10
- Category
- Article
- ISSN
- 0927-0256
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## Abstract An efficient parallel implementation has been realized for a recently proposed central insertion scheme (Jiang, Liu, Lu, Luo. J Chem Phys 2006, 124, 214711; J Chem Phys 2006, 125, 149902) that allows to calculate electronic structures of nanomaterials at various density functional theor