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Title: All-electron density functional calculations for electron and nuclear spin interactions in molecules and solids

Authors:
; ; ;
Publication Date:
Grant/Contract Number:
SC0017380; AC02-06CH11357
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review Materials
Additional Journal Information:
Journal Name: Physical Review Materials Journal Volume: 3 Journal Issue: 4; Journal ID: ISSN 2475-9953
Publisher:
American Physical Society
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
OSTI Identifier:
1505007

Ghosh, Krishnendu, Ma, He, Gavini, Vikram, and Galli, Giulia. All-electron density functional calculations for electron and nuclear spin interactions in molecules and solids. United States: N. p., Web. doi:10.1103/PhysRevMaterials.3.043801.
Ghosh, Krishnendu, Ma, He, Gavini, Vikram, & Galli, Giulia. All-electron density functional calculations for electron and nuclear spin interactions in molecules and solids. United States. doi:10.1103/PhysRevMaterials.3.043801.
Ghosh, Krishnendu, Ma, He, Gavini, Vikram, and Galli, Giulia. 2019. "All-electron density functional calculations for electron and nuclear spin interactions in molecules and solids". United States. doi:10.1103/PhysRevMaterials.3.043801.
@article{osti_1505007,
title = {All-electron density functional calculations for electron and nuclear spin interactions in molecules and solids},
author = {Ghosh, Krishnendu and Ma, He and Gavini, Vikram and Galli, Giulia},
abstractNote = {},
doi = {10.1103/PhysRevMaterials.3.043801},
journal = {Physical Review Materials},
number = 4,
volume = 3,
place = {United States},
year = {2019},
month = {4}
}

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QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
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