Correcting Density Functional Theory for Accurate Predictions of Compound Enthalpies of Formation:Fitted elemental-phase Reference Energies (FERE)

By V. Stevanovi'c, Xiuwen Zhang, S. Lany, Alex Zunger. 2012

452 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Inorganic Chemistry, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/af1f6a40d90151c3ffbebf6758f397db2a6944f7

How researchers see this paper

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In Atomic and Molecular Physics, and Optics

1. Karsten Wedel Jacobsen
2. Kristian Sommer Thygesen
3. T. Olsen

In Materials Chemistry

1. Kristian Sommer Thygesen
2. T. Olsen
3. Karsten Wedel Jacobsen
4. Debdeep Jena
5. N. Ma
6. V. Vítek

Citations in the corpus

• The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals (2018, methodology): “Other materials databases, e.g. OQMD, Materials Project, and AFLOW, employ fitted elementary reference energies (FERE) [44] and apply a Hubbard U term [45] for the rare earth and transition metal atoms (or a selected subset of them).”
• Identifying defect-tolerant semiconductors with high minority-carrier lifetimes: beyond hybrid lead halide perovskites (2015, unknown): “[93].”