Citing PEXSI

If you use PEXSI for electronic structure calculation in general, **please cite the following two papers.**

@Article{CMS2009, Title = {Fast algorithm for extracting the diagonal of the inverse matrix with application to the electronic structure analysis of metallic systems}, Author = {Lin, L. and Lu, J. and Ying, L. and Car, R. and E, W.}, Journal = {Comm. Math. Sci.}, Year = {2009}, Pages = {755}, Volume = {7} }

@Article{JCPM2013, Title = {Accelerating atomic orbital-based electronic structure calculation via pole expansion and selected inversion}, Author = {Lin, L. and Chen, M. and Yang, C. and He, L.}, Journal = {J. Phys. Condens. Matter}, Year = {2013}, Pages = {295501}, Volume = {25} }

**More references:**

M. Jacquelin, L. Lin, N. Wichmann and C. Yang, Enhancing the scalability and load balancing of the parallel selected inversion algorithm via tree-based asynchronous communication, submitted [arXiv]

L. Lin, A. Garcia, G. Huhs and C. Yang, SIESTA-PEXSI: Massively parallel method for efficient and accurate ab initio materials simulation without matrix diagonalization, J. Phys. Condens. Matter 26, 305503, 2014 [journal]

M. Jacquelin, L. Lin and C. Yang, PSelInv – A Distributed Memory Parallel Algorithm for Selected Inversion : the Symmetric Case, to appear in ACM Trans. Math. Software [arXiv]

L. Lin, M. Chen, C. Yang and L. He, Accelerating atomic orbital-based electronic structure calculation via pole expansion and elected inversion, J. Phys. Condens. Matter 25, 295501, 2013 [journal]

L. Lin, C. Yang, J. Meza, J. Lu, L. Ying and W. E, SelInv – An algorithm for selected inversion of a sparse symmetric matrix, ACM Trans. Math. Software 37, 40, 2011 [journal]

L. Lin, C. Yang, J. Lu, L. Ying and W. E, A Fast Parallel algorithm for selected inversion of structured sparse matrices with application to 2D electronic structure calculations, SIAM J. Sci. Comput. 33, 1329, 2011 [journal]

L. Lin, J. Lu, L. Ying, R. Car and W. E, Fast algorithm for extracting the diagonal of the inverse matrix with application to the electronic structure analysis of metallic systems, Commun. Math. Sci. 7, 755, 2009 [journal]

L. Lin, J. Lu, L. Ying and W. E, Pole-based approximation of the Fermi-Dirac function, Chin. Ann. Math. 30B, 729, 2009 [journal]

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