Small Representative Benchmarks for Thermochemical Calculations

By B. Lynch, Donald G. Truhlar. 2003

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1. Christoph Freysoldt
2. Jörg Neugebauer
3. Abdallah Qteish
4. J. L. Lyons
5. A. Janotti
6. Audrius Alkauskas

Citations in the corpus

• Combining GW calculations with exact-exchange density-functional theory: an analysis of valence-band photoemission for compound semiconductors (2005, background): “b PBE0, MAE of atomization energy for six small molecules [56, 57].”