The GW method in quantum chemistry
(2018) Quantum chemistry in Belgium — Location: Brussels (30.January.2018)
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- Abstract
- Currently the GW-method presents the most accurate approach to studying the electronic structure of solids that can be used for relatively complex systems. For molecules, the method is gaining more and more interest as well. Developments in both fields are however still ongoing. Developments focus on more accurate flavors of GW, more efficient implementations and approximations, improving user interfaces and usability, and systematic benchmarking. In this talk I will overview the basics behind the GW-method and subsequently discuss the four research directions focusing mostly on implementations and applications for molecular systems. I conclude with an overview on what is currently possible and what is not using the GW-method.
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van Setten, M. (2018). The GW method in quantum chemistry. Quantum chemistry in Belgium, Brussels. https://hdl.handle.net/2078.5/175799