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Title: Intensive Atomization Energy: Re-Thinking a Metric for Electronic Structure Theory Methods

Abstract

Abstract The errors in atomization energies (

Authors:
; ; ;
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Center for the Computational Design of Functional Layered Materials (CCDM)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1387982
DOE Contract Number:  
SC0012575
Resource Type:
Journal Article
Journal Name:
Zeitschrift fuer Physikalische Chemie
Additional Journal Information:
Journal Volume: 230; Journal Issue: 5-7; Related Information: CCDM partners with Temple University (lead); Brookhaven National Laboratory; Drexel University; Duke University; North Carolina State University; Northeastern University; Princeton University; Rice University; University of Pennsylvania; Journal ID: ISSN 0942-9352
Publisher:
de Gruyter
Country of Publication:
United States
Language:
English
Subject:
catalysis (heterogeneous), solar (photovoltaic), energy storage (including batteries and capacitors), hydrogen and fuel cells, defects, mechanical behavior, materials and chemistry by design, synthesis (novel materials)

Citation Formats

Perdew, John P., Sun, Jianwei, Garza, Alejandro J., and Scuseria, Gustavo E. Intensive Atomization Energy: Re-Thinking a Metric for Electronic Structure Theory Methods. United States: N. p., 2016. Web. doi:10.1515/zpch-2015-0713.
Perdew, John P., Sun, Jianwei, Garza, Alejandro J., & Scuseria, Gustavo E. Intensive Atomization Energy: Re-Thinking a Metric for Electronic Structure Theory Methods. United States. doi:10.1515/zpch-2015-0713.
Perdew, John P., Sun, Jianwei, Garza, Alejandro J., and Scuseria, Gustavo E. Thu . "Intensive Atomization Energy: Re-Thinking a Metric for Electronic Structure Theory Methods". United States. doi:10.1515/zpch-2015-0713.
@article{osti_1387982,
title = {Intensive Atomization Energy: Re-Thinking a Metric for Electronic Structure Theory Methods},
author = {Perdew, John P. and Sun, Jianwei and Garza, Alejandro J. and Scuseria, Gustavo E.},
abstractNote = {Abstract The errors in atomization energies (},
doi = {10.1515/zpch-2015-0713},
journal = {Zeitschrift fuer Physikalische Chemie},
issn = {0942-9352},
number = 5-7,
volume = 230,
place = {United States},
year = {2016},
month = {1}
}