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]


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.

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Randrianarivony, M. (2015) 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]. Journal of Surface Engineered Materials and Advanced Technology, 5, 84-84. doi: 10.4236/jsemat.2015.52009.


This work was partially supported by Eurostars Project E!6935 funded by German Federal Ministry of Education and Research.

In addition, please remove Figure 5 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 Figure 5(a), Figure 5(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”.

Conflicts of Interest

The authors declare no conflicts of interest.


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