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

Authors:
; ; ;
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1505007
Grant/Contract Number:  
SC0017380; AC02-06CH11357
Resource Type:
Journal Article: 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
Country of Publication:
United States
Language:
English

Citation Formats

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., 2019. 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. Thu . "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},
issn = {2475-9953},
number = 4,
volume = 3,
place = {United States},
year = {2019},
month = {4}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on April 3, 2020
Publisher's Accepted Manuscript

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Works referenced in this record:

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Projector augmented-wave method
journal, December 1994


QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
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  • Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
  • Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
  • DOI: 10.1088/0953-8984/21/39/395502