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Title: Linear polarizabilities and second hyperpolarizabilities of streptocyanines: Results from broken-Symmetry DFT and new CCSD(T) benchmarks

Authors:
 [1] ;  [1] ; ORCiD logo [1]
  1. Department of Chemical & Environmental Engineering, Materials Science & Engineering Program and Department of Physics & Astronomy, University of California-Riverside, Riverside California 92521
Publication Date:
Grant/Contract Number:
SC0016269
Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Computational Chemistry
Additional Journal Information:
Journal Name: Journal of Computational Chemistry Journal Volume: 39 Journal Issue: 28; Journal ID: ISSN 0192-8651
Publisher:
Wiley Blackwell (John Wiley & Sons)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
OSTI Identifier:
1479533

Xu, Lihua, Kumar, Anshuman, and Wong, Bryan M. Linear polarizabilities and second hyperpolarizabilities of streptocyanines: Results from broken-Symmetry DFT and new CCSD(T) benchmarks. United States: N. p., Web. doi:10.1002/jcc.25519.
Xu, Lihua, Kumar, Anshuman, & Wong, Bryan M. Linear polarizabilities and second hyperpolarizabilities of streptocyanines: Results from broken-Symmetry DFT and new CCSD(T) benchmarks. United States. doi:10.1002/jcc.25519.
Xu, Lihua, Kumar, Anshuman, and Wong, Bryan M. 2018. "Linear polarizabilities and second hyperpolarizabilities of streptocyanines: Results from broken-Symmetry DFT and new CCSD(T) benchmarks". United States. doi:10.1002/jcc.25519.
@article{osti_1479533,
title = {Linear polarizabilities and second hyperpolarizabilities of streptocyanines: Results from broken-Symmetry DFT and new CCSD(T) benchmarks},
author = {Xu, Lihua and Kumar, Anshuman and Wong, Bryan M.},
abstractNote = {},
doi = {10.1002/jcc.25519},
journal = {Journal of Computational Chemistry},
number = 28,
volume = 39,
place = {United States},
year = {2018},
month = {10}
}

Works referenced in this record:

Nonlinear magic: multiphoton microscopy in the biosciences
journal, November 2003
  • Zipfel, Warren R.; Williams, Rebecca M.; Webb, Watt W.
  • Nature Biotechnology, Vol. 21, Issue 11, p. 1369-1377
  • DOI: 10.1038/nbt899

A new hybrid exchange�correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
journal, July 2004
  • Yanai, Takeshi; Tew, David P.; Handy, Nicholas C.
  • Chemical Physics Letters, Vol. 393, Issue 1-3, p. 51-57
  • DOI: 10.1016/j.cplett.2004.06.011

Two-photon polymerization initiators for three-dimensional optical data storage and microfabrication
journal, March 1999
  • Cumpston, Brian H.; Ananthavel, Sundaravel P.; Barlow, Stephen
  • Nature, Vol. 398, Issue 6722, p. 51-54
  • DOI: 10.1038/17989