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Title: Analytic gradients, geometry optimization and excited state potential energy surfaces from the particle-particle random phase approximation

Authors:
; ; ;
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC); 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:
1210738
DOE Contract Number:  
SC0012575
Resource Type:
Journal Article
Resource Relation:
Journal Name: Phys. Chem. Chem. Phys; Journal Volume: 17; 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
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

Zhang, D., Peng, D., Zhang, P., and Yang, W.. Analytic gradients, geometry optimization and excited state potential energy surfaces from the particle-particle random phase approximation. United States: N. p., 2015. Web. doi:10.1039/c4cp04109g.
Zhang, D., Peng, D., Zhang, P., & Yang, W.. Analytic gradients, geometry optimization and excited state potential energy surfaces from the particle-particle random phase approximation. United States. doi:10.1039/c4cp04109g.
Zhang, D., Peng, D., Zhang, P., and Yang, W.. Thu . "Analytic gradients, geometry optimization and excited state potential energy surfaces from the particle-particle random phase approximation". United States. doi:10.1039/c4cp04109g.
@article{osti_1210738,
title = {Analytic gradients, geometry optimization and excited state potential energy surfaces from the particle-particle random phase approximation},
author = {Zhang, D. and Peng, D. and Zhang, P. and Yang, W.},
abstractNote = {},
doi = {10.1039/c4cp04109g},
journal = {Phys. Chem. Chem. Phys},
number = ,
volume = 17,
place = {United States},
year = {Thu Jan 01 00:00:00 EST 2015},
month = {Thu Jan 01 00:00:00 EST 2015}
}