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Title: Implementation and Validation of Fully Relativistic GW Calculations: Spin–Orbit Coupling in Molecules, Nanocrystals, and Solids

Authors:
 [1];  [2];  [3];  [2]
  1. Institute for Molecular Engineering, The University of Chicago, Chicago, Illinois 60637, United States
  2. Institute for Molecular Engineering, The University of Chicago, Chicago, Illinois 60637, United States, Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, United States
  3. International Center for Materials Nanoarchitectonics, Global Research Center for Environment and Energy based on Nanomaterials Science, and Center for Materials Research by Information Integration, National Institute for Materials Science, 1-1 Namiki, Tsukuba 305-0044, Japan
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1262100
Alternate Identifier(s):
OSTI ID: 1326817
Grant/Contract Number:  
5J-30161-0010A; AC02-06CH11357
Resource Type:
Published Article
Journal Name:
Journal of Chemical Theory and Computation
Additional Journal Information:
Journal Name: Journal of Chemical Theory and Computation Journal Volume: 12 Journal Issue: 8; Journal ID: ISSN 1549-9618
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 36 MATERIALS SCIENCE

Citation Formats

Scherpelz, Peter, Govoni, Marco, Hamada, Ikutaro, and Galli, Giulia. Implementation and Validation of Fully Relativistic GW Calculations: Spin–Orbit Coupling in Molecules, Nanocrystals, and Solids. United States: N. p., 2016. Web. doi:10.1021/acs.jctc.6b00114.
Scherpelz, Peter, Govoni, Marco, Hamada, Ikutaro, & Galli, Giulia. Implementation and Validation of Fully Relativistic GW Calculations: Spin–Orbit Coupling in Molecules, Nanocrystals, and Solids. United States. doi:10.1021/acs.jctc.6b00114.
Scherpelz, Peter, Govoni, Marco, Hamada, Ikutaro, and Galli, Giulia. Wed . "Implementation and Validation of Fully Relativistic GW Calculations: Spin–Orbit Coupling in Molecules, Nanocrystals, and Solids". United States. doi:10.1021/acs.jctc.6b00114.
@article{osti_1262100,
title = {Implementation and Validation of Fully Relativistic GW Calculations: Spin–Orbit Coupling in Molecules, Nanocrystals, and Solids},
author = {Scherpelz, Peter and Govoni, Marco and Hamada, Ikutaro and Galli, Giulia},
abstractNote = {},
doi = {10.1021/acs.jctc.6b00114},
journal = {Journal of Chemical Theory and Computation},
number = 8,
volume = 12,
place = {United States},
year = {2016},
month = {7}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1021/acs.jctc.6b00114

Citation Metrics:
Cited by: 12 works
Citation information provided by
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Works referencing / citing this record:

The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy
journal, July 2019


The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy
journal, July 2019