Predicting Density Functional Theory Total Energies and Enthalpies of Formation of Metal-Nonmetal Compounds by Linear Regression
Journal Article
·
· Physical Review B
- Research Organization:
- National Renewable Energy Lab. (NREL), Golden, CO (United States)
- Sponsoring Organization:
- National Science Foundation (NSF)
- DOE Contract Number:
- AC36-08GO28308
- OSTI ID:
- 1241578
- Report Number(s):
- NREL/JA-5K00-65927
- Journal Information:
- Physical Review B, Vol. 93, Issue 8; Related Information: Physical Review. B, Condensed Matter and Materials Physics; ISSN 2469-9950
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
Similar Records
Predicting density functional theory total energies and enthalpies of formation of metal-nonmetal compounds by linear regression
Correcting density functional theory for accurate predictions of compound enthalpies of formation: Fitted elemental-phase reference energies
Correcting Density Functional Theory for Accurate Predictions of Compound Enthalpies of Formation: Fitted Elemental-Phase Reference Energies
Journal Article
·
Mon Feb 29 00:00:00 EST 2016
· Physical Review B
·
OSTI ID:1241578
+1 more
Correcting density functional theory for accurate predictions of compound enthalpies of formation: Fitted elemental-phase reference energies
Journal Article
·
Thu Mar 01 00:00:00 EST 2012
· Physical Review. B, Condensed Matter and Materials Physics
·
OSTI ID:1241578
+1 more
Correcting Density Functional Theory for Accurate Predictions of Compound Enthalpies of Formation: Fitted Elemental-Phase Reference Energies
Journal Article
·
Thu Mar 15 00:00:00 EDT 2012
· Physical Review. B, Condensed Matter and Materials Physics
·
OSTI ID:1241578
+1 more