GW self-energy calculations for surfaces and interfaces

DOI10.1016/S0010-4655(01)00174-6zbMath0988.81567OpenAlexW2054073141MaRDI QIDQ5943243

P. García-González, R. W. Godby

Publication date: 22 July 2002

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/s0010-4655(01)00174-6

zbMATH Keywords

semiconductorsab initio calculationsdensity functional theoriesexcited-state propertieslifetimes of surface states in metalsmany-body GW approximationone-electron excitation spectra

Mathematics Subject Classification ID

Statistical mechanics of semiconductors (82D37) Computational methods for problems pertaining to quantum theory (81-08) Many-body theory; quantum Hall effect (81V70)

Cites Work

• Unnamed Item
• The \(GW\) space-time method for the self-energy of large systems
• Density-functional theory calculations for poly-atomic systems: Electronic structure, static and elastic properties and ab initio molecular dynamics
• Enhancements to the \(GW\) space-time method

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