<?xml version="1.0" encoding="UTF-8"?><!DOCTYPE article  PUBLIC "-//NLM//DTD Journal Publishing DTD v3.0 20080202//EN" "http://dtd.nlm.nih.gov/publishing/3.0/journalpublishing3.dtd"><article xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink" dtd-version="3.0" xml:lang="en" article-type="research article"><front><journal-meta><journal-id journal-id-type="publisher-id">JSEMAT</journal-id><journal-title-group><journal-title>Journal of Surface Engineered Materials and Advanced Technology</journal-title></journal-title-group><issn pub-type="epub">2161-4881</issn><publisher><publisher-name>Scientific Research Publishing</publisher-name></publisher></journal-meta><article-meta><article-id pub-id-type="doi">10.4236/jsemat.2015.52009</article-id><article-id pub-id-type="publisher-id">JSEMAT-54958</article-id><article-categories><subj-group subj-group-type="heading"><subject>Articles</subject></subj-group><subj-group subj-group-type="Discipline-v2"><subject>Chemistry&amp;Materials Science</subject><subject> Engineering</subject></subj-group></article-categories><title-group><article-title>
 
 
  Erratum to “Multilevel B-Spline Repulsive Energy in Nanomodeling of Graphenes” [Journal of Surface Engineered Materials and Advanced Technology Vol. 4 No. 2 (April 2014) 75-86]
 
</article-title></title-group><contrib-group><contrib contrib-type="author" xlink:type="simple"><name name-style="western"><surname>aharavo</surname><given-names>Randrianarivony</given-names></name><xref ref-type="aff" rid="aff1"><sub>1</sub></xref></contrib></contrib-group><aff id="aff1"><label>1</label><addr-line>Virtual Material Design, Fraunhofer Institute for Algorithms and Scientific Computing SCAI, Schloss
Birlinghoven, Sankt Augustin, Germany</addr-line></aff><author-notes><corresp id="cor1">* E-mail:</corresp></author-notes><pub-date pub-type="epub"><day>03</day><month>02</month><year>2015</year></pub-date><volume>05</volume><issue>02</issue><fpage>84</fpage><lpage>84</lpage><history><date date-type="received"><day>6</day>	<month>January</month>	<year>2014</year></date><date date-type="rev-recd"><day>5</day>	<month>February</month>	<year>2014</year>	</date><date date-type="accepted"><day>4</day>	<month>March</month>	<year>2014</year></date></history><permissions><copyright-statement>&#169; Copyright  2014 by authors and Scientific Research Publishing Inc. </copyright-statement><copyright-year>2014</copyright-year><license><license-p>This work is licensed under the Creative Commons Attribution International License (CC BY). http://creativecommons.org/licenses/by/4.0/</license-p></license></permissions><abstract><p>
 
 
  Quantum energies which are used in applications are usually composed of repulsive and attractive terms. The objective of this study is to use an accurate and efficient fitting of the repulsive energy instead of using standard parametrizations. The investigation is based on Density Functional Theory and Tight Binding simulations. Our objective is not only to capture the values of the repulsive terms but also to efficiently reproduce the elastic properties and the forces. The elasticity values determine the rigidity of a material when some traction or load is applied on it. The pair-potential is based on an exponential term corrected by B-spline terms. In order to accelerate the computations, one uses a hierarchical optimization for the B-splines on different levels. Carbon graphenes constitute the configurations used in the simulations. We report on some results to show the efficiency of the B-splines on different levels.
 
</p></abstract><kwd-group><kwd>Repulsive potential</kwd><kwd> B-spline</kwd><kwd> Force</kwd><kwd> Elastic stress</kwd><kwd> Hierarchy</kwd></kwd-group></article-meta></front><body><sec id="s1"><title>Acknowledgements</title><p>This work was partially supported by Eurostars Project E!6935 funded by German Federal Ministry of Education and Research.</p><p>In addition, please remove <xref ref-type="fig" rid="fig5">Figure 5</xref> because it has little relevance with the proposed method. Discard also the corresponding description on page 84: “As a next test, we consider the complex band structures for using the DFT and SE computations whose results are respectively displayed in <xref ref-type="fig" rid="fig5">Figure 5</xref>(a), <xref ref-type="fig" rid="fig5">Figure 5</xref>(b) for the graphene with chirality (1,0). The plots depict band lines which are not shown as continuous curves but as sets of sampling points. The points which are purely real and explicitly complex are depicted in red and green respectively”.</p></sec></body><back><ref-list><title>References</title><ref id="scirp.54958-ref1"><label>1</label><mixed-citation publication-type="other" xlink:type="simple">Kohn, W. and Sham, L. (1965) Self Consistent Equations Including Exchange Correlation Effects. Physical Review Letters, 140, A1133-A11388. http://dx.doi.org/10.1103/PhysRev.140.A1133</mixed-citation></ref><ref id="scirp.54958-ref2"><label>2</label><mixed-citation publication-type="other" xlink:type="simple">Harbrecht, H. and Randrianarivony, M. (2011) Wavelet BEM on Molecular Surfaces: Solvent Excluded Surfaces. Computing, 92, 335-364. http://dx.doi.org/10.1007/s00607-011-0147-y</mixed-citation></ref><ref id="scirp.54958-ref3"><label>3</label><mixed-citation publication-type="journal" xlink:type="simple"><name name-style="western"><surname>Randrianarivony</surname><given-names> M. </given-names></name>,<etal>et al</etal>. (<year>2013</year>)<article-title>On Space Enrichment Estimator for Nonlinear Poisson-Boltzmann</article-title><source> American Institute of Physics</source><volume> 1558</volume>,<fpage> 2365</fpage>-<lpage>2369</lpage>.<pub-id pub-id-type="doi"></pub-id></mixed-citation></ref><ref id="scirp.54958-ref4"><label>4</label><mixed-citation publication-type="other" xlink:type="simple">Perdew, J. and Wang, Y. (1992) Accurate and Simple Analytic Representation of the Electron-Gas Correlation Energy. Physical Review B, 45, 13244. http://dx.doi.org/10.1103/PhysRevB.45.13244</mixed-citation></ref><ref id="scirp.54958-ref5"><label>5</label><mixed-citation publication-type="other" xlink:type="simple">Perdew, J. and Zunger, A. (1981) Self-Interaction Correction to Density-Functional Approximation for Many-Electron Systems. Physical Review B, 23, 5048-5079. http://dx.doi.org/10.1103/PhysRevB.23.5048</mixed-citation></ref><ref id="scirp.54958-ref6"><label>6</label><mixed-citation publication-type="other" xlink:type="simple">Vosko, S., Wilk, L. and Nusair, M. (1980) Accurate Spin-Dependent Electron Liquid Correlation Energies for Local Spin Density Calculations: A Critical Analysis. Canadian Journal of Physics, 58, 1200-1211. http://dx.doi.org/10.1139/p80-159</mixed-citation></ref><ref id="scirp.54958-ref7"><label>7</label><mixed-citation publication-type="other" xlink:type="simple">Stokbro, K., Petersen, D., Smidstrup, S., Blom, A., Ipsen, M. and Kaasbjerg, K. (2010) Semi-Empirical Model for Nano-Scale Device Simulations. Physical Review B, 82, 075420. http://dx.doi.org/10.1103/PhysRevB.82.075420</mixed-citation></ref><ref id="scirp.54958-ref8"><label>8</label><mixed-citation publication-type="other" xlink:type="simple">Carbo-Dorca, R. and Bultink, P. (2004) Quantum Mechanical Basis for Mulliken Population Analysis. Journal of Mathematical Chemistry, 36, 231-239. http://dx.doi.org/10.1023/B:JOMC.0000044221.23647.20</mixed-citation></ref><ref id="scirp.54958-ref9"><label>9</label><mixed-citation publication-type="other" xlink:type="simple">Cadelano, E., Palla, P., Giordano, S. and Colombo, L. (2009) Nonlinear Elasticity of Monolayer Graphene. Physical Review Letters, 102, 235502. http://dx.doi.org/10.1103/PhysRevLett.102.235502</mixed-citation></ref><ref id="scirp.54958-ref10"><label>10</label><mixed-citation publication-type="other" xlink:type="simple">Johnson, S. The NLopt Nonlinear-Optimization Package. http://ab-initio.mit.edu/nlopt</mixed-citation></ref></ref-list></back></article>