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Title: Charge transfer excitations from particle-particle random phase approximation—Opportunities and challenges arising from two-electron deficient systems

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:
1388076
DOE Contract Number:  
SC0012575
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 146; Journal Issue: 12; 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

Yang, Yang, Dominguez, Adriel, Zhang, Du, Lutsker, Vitalij, Niehaus, Thomas A., Frauenheim, Thomas, and Yang, Weitao. Charge transfer excitations from particle-particle random phase approximation—Opportunities and challenges arising from two-electron deficient systems. United States: N. p., 2017. Web. doi:10.1063/1.4977928.
Yang, Yang, Dominguez, Adriel, Zhang, Du, Lutsker, Vitalij, Niehaus, Thomas A., Frauenheim, Thomas, & Yang, Weitao. Charge transfer excitations from particle-particle random phase approximation—Opportunities and challenges arising from two-electron deficient systems. United States. doi:10.1063/1.4977928.
Yang, Yang, Dominguez, Adriel, Zhang, Du, Lutsker, Vitalij, Niehaus, Thomas A., Frauenheim, Thomas, and Yang, Weitao. Tue . "Charge transfer excitations from particle-particle random phase approximation—Opportunities and challenges arising from two-electron deficient systems". United States. doi:10.1063/1.4977928.
@article{osti_1388076,
title = {Charge transfer excitations from particle-particle random phase approximation—Opportunities and challenges arising from two-electron deficient systems},
author = {Yang, Yang and Dominguez, Adriel and Zhang, Du and Lutsker, Vitalij and Niehaus, Thomas A. and Frauenheim, Thomas and Yang, Weitao},
abstractNote = {},
doi = {10.1063/1.4977928},
journal = {Journal of Chemical Physics},
number = 12,
volume = 146,
place = {United States},
year = {Tue Mar 28 00:00:00 EDT 2017},
month = {Tue Mar 28 00:00:00 EDT 2017}
}