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Application of the package SIESTA to linear models of a molecular chromium-based ring

T Ślusarski, B Brzostowski, Daria M. Tomecka UGent and G Kamieniarz (2010) ACTA PHYSICA POLONICA A. 118(5). p.967-968
abstract
We investigate for the first time the electronic and magnetic properties of the linear models of Cr(8)F(8)(Piv)(16) molecular ring using the SIESTA package In the first step the proper values of the SIESTA parameters and the optimal basis set needed for the convergence of the total energy are established Next the estimates of the magnetic coupling J confirming the previous density functional theory calculations are presented.
Please use this url to cite or link to this publication:
author
organization
year
type
journalArticle (proceedingsPaper)
publication status
published
subject
keyword
DENSITY, APPROXIMATION
journal title
ACTA PHYSICA POLONICA A
Acta Phys. Pol. A
volume
118
issue
5
pages
967 - 968
conference name
14th Czech and Slovak Conference on Magnetism
conference location
Košice, Slovakia
conference start
2010-06-06
conference end
2010-06-10
Web of Science type
Article; Proceedings Paper
Web of Science id
000285797100104
language
English
UGent publication?
no
classification
A1
copyright statement
I have retained and own the full copyright for this publication
id
1996299
handle
http://hdl.handle.net/1854/LU-1996299
alternative location
http://przyrbwn.icm.edu.pl/APP/PDF/118/a118z5p103.pdf
date created
2012-01-19 12:32:55
date last changed
2012-02-16 17:01:17
@article{1996299,
  abstract     = {We investigate for the first time the electronic and magnetic properties of the linear models of Cr(8)F(8)(Piv)(16) molecular ring using the SIESTA package In the first step the proper values of the SIESTA parameters and the optimal basis set needed for the convergence of the total energy are established Next the estimates of the magnetic coupling J confirming the previous density functional theory calculations are presented.},
  author       = {\'{S}lusarski, T and Brzostowski, B and Tomecka, Daria M. and Kamieniarz, G},
  journal      = {ACTA PHYSICA POLONICA A},
  keyword      = {DENSITY,APPROXIMATION},
  language     = {eng},
  location     = {Ko\v{s}ice, Slovakia},
  number       = {5},
  pages        = {967--968},
  title        = {Application of the package SIESTA to linear models of a molecular chromium-based ring},
  url          = {http://przyrbwn.icm.edu.pl/APP/PDF/118/a118z5p103.pdf},
  volume       = {118},
  year         = {2010},
}

Chicago
Ślusarski, T, B Brzostowski, Daria M. Tomecka, and G Kamieniarz. 2010. “Application of the Package SIESTA to Linear Models of a Molecular Chromium-based Ring.” Acta Physica Polonica A 118 (5): 967–968.
APA
Ślusarski, T., Brzostowski, B., Tomecka, D. M., & Kamieniarz, G. (2010). Application of the package SIESTA to linear models of a molecular chromium-based ring. ACTA PHYSICA POLONICA A, 118(5), 967–968. Presented at the 14th Czech and Slovak Conference on Magnetism.
Vancouver
1.
Ślusarski T, Brzostowski B, Tomecka DM, Kamieniarz G. Application of the package SIESTA to linear models of a molecular chromium-based ring. ACTA PHYSICA POLONICA A. 2010;118(5):967–8.
MLA
Ślusarski, T, B Brzostowski, Daria M. Tomecka, et al. “Application of the Package SIESTA to Linear Models of a Molecular Chromium-based Ring.” ACTA PHYSICA POLONICA A 118.5 (2010): 967–968. Print.