HEAT: High accuracy extrapolated ab initio thermochemistry.
By Attila Tajti, P. Szalay, Á. Császár, Mihály Kállay, J. Gauss, Edward F. Valeev, B. Flowers, J. Vázquez, John F. Stanton. Journal of Chemical Physics, 2004
688 citations recorded by the source corpus.
Subfields: Atmospheric Science, Atomic and Molecular Physics, and Optics, Organic Chemistry
View Paper: https://www.semanticscholar.org/paper/5c9a285547ceacf3d79dcaaf0f57c7998e8dc5b4
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In Atomic and Molecular Physics, and Optics
In Organic Chemistry
Citations in the corpus
- Coupled-cluster theory in quantum chemistry (2007, positive): “Extremely high-accuracy CC extrapolated thermochemistry HEAT values have been presented by Tajti et al. 2004 to resolve discrepancies in the thermochemistry Rev. Mod.”