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Title: Ab initio phonon-coupled nonadiabatic relaxation dynamics of [Au 25 (SH) 18 ] clusters: Phonon-coupled relaxation dynamics of [Au 25 (SH) 18 ] - clusters

Authors:
 [1] ;  [2] ;  [1] ;  [1] ;  [1] ;  [1]
  1. Institute of Functional Nano and Soft Materials (FUNSOM), Jiangsu Key Laboratory for Carbon-Based Functional Materials and Devices, Soochow University, Suzhou Jiangsu 215123 P.R. China
  2. Department of Chemistry, University of Southern California, Los Angeles CA 90089 USA
Publication Date:
Grant/Contract Number:
SC0014429
Type:
Publisher's Accepted Manuscript
Journal Name:
Physica Status Solidi B. Basic Solid State Physics
Additional Journal Information:
Journal Name: Physica Status Solidi B. Basic Solid State Physics Journal Volume: 253 Journal Issue: 3; Journal ID: ISSN 0370-1972
Publisher:
Wiley Blackwell (John Wiley & Sons)
Sponsoring Org:
USDOE
Country of Publication:
Germany
Language:
English
OSTI Identifier:
1401163

Chen, Xue, Prezhdo, Oleg V., Ma, Zeyao, Hou, Tingjun, Guo, Zhenyu, and Li, Youyong. Ab initio phonon-coupled nonadiabatic relaxation dynamics of [Au 25 (SH) 18 ] − clusters: Phonon-coupled relaxation dynamics of [Au 25 (SH) 18 ] - clusters. Germany: N. p., Web. doi:10.1002/pssb.201552405.
Chen, Xue, Prezhdo, Oleg V., Ma, Zeyao, Hou, Tingjun, Guo, Zhenyu, & Li, Youyong. Ab initio phonon-coupled nonadiabatic relaxation dynamics of [Au 25 (SH) 18 ] − clusters: Phonon-coupled relaxation dynamics of [Au 25 (SH) 18 ] - clusters. Germany. doi:10.1002/pssb.201552405.
Chen, Xue, Prezhdo, Oleg V., Ma, Zeyao, Hou, Tingjun, Guo, Zhenyu, and Li, Youyong. 2015. "Ab initio phonon-coupled nonadiabatic relaxation dynamics of [Au 25 (SH) 18 ] − clusters: Phonon-coupled relaxation dynamics of [Au 25 (SH) 18 ] - clusters". Germany. doi:10.1002/pssb.201552405.
@article{osti_1401163,
title = {Ab initio phonon-coupled nonadiabatic relaxation dynamics of [Au 25 (SH) 18 ] − clusters: Phonon-coupled relaxation dynamics of [Au 25 (SH) 18 ] - clusters},
author = {Chen, Xue and Prezhdo, Oleg V. and Ma, Zeyao and Hou, Tingjun and Guo, Zhenyu and Li, Youyong},
abstractNote = {},
doi = {10.1002/pssb.201552405},
journal = {Physica Status Solidi B. Basic Solid State Physics},
number = 3,
volume = 253,
place = {Germany},
year = {2015},
month = {10}
}

Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996
  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Correlating the Crystal Structure of A Thiol-Protected Au25 Cluster and Optical Properties
journal, May 2008
  • Zhu, Manzhou; Aikens, Christine M.; Hollander, Frederick J.
  • Journal of the American Chemical Society, Vol. 130, Issue 18, p. 5883-5885
  • DOI: 10.1021/ja801173r

Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965