{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2022,3,29]],"date-time":"2022-03-29T01:53:11Z","timestamp":1648518791353},"reference-count":17,"publisher":"Springer Science and Business Media LLC","issue":"2","license":[{"start":{"date-parts":[[2019,4,20]],"date-time":"2019-04-20T00:00:00Z","timestamp":1555718400000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/www.springer.com\/tdm"}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["J Sci Comput"],"published-print":{"date-parts":[[2019,8]]},"DOI":"10.1007\/s10915-019-00959-6","type":"journal-article","created":{"date-parts":[[2019,4,20]],"date-time":"2019-04-20T10:02:35Z","timestamp":1555754555000},"page":"859-877","update-policy":"http:\/\/dx.doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Discretization Error Cancellation in the Plane-Wave Approximation of Periodic Hamiltonians with Coulomb Singularities"],"prefix":"10.1007","volume":"80","author":[{"given":"Mi-Song","family":"Dupuy","sequence":"first","affiliation":[]}],"member":"297","published-online":{"date-parts":[[2019,4,20]]},"reference":[{"issue":"186","key":"959_CR1","doi-asserted-by":"publisher","first-page":"275","DOI":"10.1090\/S0025-5718-1989-0962210-8","volume":"52","author":"I Babu\u0161ka","year":"1989","unstructured":"Babu\u0161ka, I., Osborn, J.E.: Finite element-Galerkin approximation of the eigenvalues and eigenvectors of selfadjoint problems. Math. Comput. 52(186), 275\u2013297 (1989)","journal-title":"Math. Comput."},{"key":"959_CR2","doi-asserted-by":"crossref","unstructured":"Babu\u0161ka, I., Rosenzweig, M.B.: A finite element scheme for domains with corners. Numer. Math. 20, 1\u201321 (1972\/73)","DOI":"10.1007\/BF01436639"},{"issue":"2","key":"959_CR3","doi-asserted-by":"publisher","first-page":"341","DOI":"10.1051\/m2an\/2011038","volume":"46","author":"E Canc\u00e8s","year":"2012","unstructured":"Canc\u00e8s, E., Chakir, R., Maday, Y.: Numerical analysis of the planewave discretization of some orbital-free and Kohn\u2013Sham models. ESAIM Math. Model. Numer. Anal. 46(2), 341\u2013388 (2012)","journal-title":"ESAIM Math. Model. Numer. Anal."},{"issue":"5","key":"959_CR4","doi-asserted-by":"publisher","first-page":"1617","DOI":"10.1051\/m2an\/2017035","volume":"51","author":"E Canc\u00e8s","year":"2017","unstructured":"Canc\u00e8s, E., Dusson, G.: Discretization error cancellation in electronic structure calculation: toward a quantitative study. ESAIM Math. Model. Numer. Anal. 51(5), 1617\u20131636 (2017)","journal-title":"ESAIM Math. Model. Numer. Anal."},{"key":"959_CR5","doi-asserted-by":"publisher","first-page":"446","DOI":"10.1016\/j.jcp.2015.12.012","volume":"307","author":"E Canc\u00e8s","year":"2016","unstructured":"Canc\u00e8s, E., Dusson, G., Maday, Y., Stamm, B., Vohral\u00edk, M.: A perturbation-method-based post-processing for the planewave discretization of Kohn\u2013Sham models. J. Comput. Phys. 307, 446\u2013459 (2016)","journal-title":"J. Comput. Phys."},{"issue":"2","key":"959_CR6","doi-asserted-by":"publisher","first-page":"225","DOI":"10.1007\/s10444-011-9235-y","volume":"38","author":"H Chen","year":"2013","unstructured":"Chen, H., Gong, X., He, L., Yang, Z., Zhou, A.: Numerical analysis of finite dimensional approximations of Kohn\u2013Sham models. Adv. Comput. Math. 38(2), 225\u2013256 (2013)","journal-title":"Adv. Comput. Math."},{"issue":"3","key":"959_CR7","doi-asserted-by":"publisher","first-page":"755","DOI":"10.1051\/m2an\/2014052","volume":"49","author":"H Chen","year":"2015","unstructured":"Chen, H., Schneider, R.: Numerical analysis of augmented plane wave methods for full-potential electronic structure calculations. ESAIM Math. Model. Numer. Anal. 49(3), 755\u2013785 (2015)","journal-title":"ESAIM Math. Model. Numer. Anal."},{"key":"959_CR8","unstructured":"Dupuy, M.-S.: The variational projector augmented-wave method for the plane-wave discretization of linear Schr\u00f6dinger operators (2018). (in preparation)"},{"key":"959_CR9","doi-asserted-by":"publisher","DOI":"10.1007\/978-3-0348-8900-1","volume-title":"Pseudo-Differential Operators, Singularities, Applications, Volume 93 of Operator Theory: Advances and Applications","author":"YV Egorov","year":"1997","unstructured":"Egorov, Y.V., Schulze, B.-W.: Pseudo-Differential Operators, Singularities, Applications, Volume 93 of Operator Theory: Advances and Applications. Birkh\u00e4user Verlag, Basel (1997)"},{"issue":"18","key":"959_CR10","doi-asserted-by":"publisher","first-page":"2172","DOI":"10.1002\/mma.1021","volume":"31","author":"H-J Flad","year":"2008","unstructured":"Flad, H.-J., Schneider, R., Schulze, B.-W.: Asymptotic regularity of solutions to Hartree\u2013Fock equations with Coulomb potential. Math. Methods Appl. Sci. 31(18), 2172\u20132201 (2008)","journal-title":"Math. Methods Appl. Sci."},{"key":"959_CR11","volume-title":"Singularities in Boundary Value Problems, Volume 22 of Recherches en Math\u00e9matiques Appliqu\u00e9es [Research in Applied Mathematics]","author":"P Grisvard","year":"1992","unstructured":"Grisvard, P.: Singularities in Boundary Value Problems, Volume 22 of Recherches en Math\u00e9matiques Appliqu\u00e9es [Research in Applied Mathematics]. Springer, Berlin (1992)"},{"issue":"8","key":"959_CR12","doi-asserted-by":"publisher","first-page":"083501","DOI":"10.1063\/1.2957940","volume":"49","author":"E Hunsicker","year":"2008","unstructured":"Hunsicker, E., Nistor, V., Sofo, J.O.: Analysis of periodic Schr\u00f6dinger operators: regularity and approximation of eigenfunctions. J. Math. Phys. 49(8), 083501 (2008)","journal-title":"J. Math. Phys."},{"key":"959_CR13","doi-asserted-by":"publisher","first-page":"151","DOI":"10.1002\/cpa.3160100201","volume":"10","author":"T Kato","year":"1957","unstructured":"Kato, T.: On the eigenfunctions of many-particle systems in quantum mechanics. Commun. Pure Appl. Math. 10, 151\u2013177 (1957)","journal-title":"Commun. Pure Appl. Math."},{"key":"959_CR14","volume-title":"Elliptic Boundary Value Problems in Domains with Point Singularities, Volume 52 of Mathematical Surveys and Monographs","author":"VA Kozlov","year":"1997","unstructured":"Kozlov, V.A., Maz\u2019ya, V.G., Rossmann, J.: Elliptic Boundary Value Problems in Domains with Point Singularities, Volume 52 of Mathematical Surveys and Monographs. American Mathematical Society, Providence (1997)"},{"key":"959_CR15","doi-asserted-by":"crossref","DOI":"10.1201\/9781439864609","volume-title":"The Atiyah\u2013Patodi\u2013Singer Index Theorem, Volume 4 of Research Notes in Mathematics","author":"RB Melrose","year":"1993","unstructured":"Melrose, R.B.: The Atiyah\u2013Patodi\u2013Singer Index Theorem, Volume 4 of Research Notes in Mathematics. A K Peters Ltd., Wellesley (1993)"},{"issue":"40","key":"959_CR16","doi-asserted-by":"publisher","first-page":"7746","DOI":"10.1002\/anie.200801843","volume":"47","author":"SN Pieniazek","year":"2008","unstructured":"Pieniazek, S.N., Clemente, F.R., Houk, K.N.: Sources of error in DFT computations of C\u2013C bond formation thermochemistries: \n                    \n                      \n                    \n                    $$\\pi \\rightarrow \\sigma $$\n                    \n                      \n                        \n                          \u03c0\n                          \u2192\n                          \u03c3\n                        \n                      \n                    \n                   transformations and error cancellation by DFT methods. Angew. Chem. Int. Edition 47(40), 7746\u20137749 (2008)","journal-title":"Angew. Chem. Int. Edition"},{"key":"959_CR17","volume-title":"Methods of Modern Mathematical Physics. IV. Analysis of Operators","author":"M Reed","year":"1978","unstructured":"Reed, M., Simon, B.: Methods of Modern Mathematical Physics. IV. Analysis of Operators. Academic Press [Harcourt Brace Jovanovich, Publishers], New York (1978)"}],"container-title":["Journal of Scientific Computing"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s10915-019-00959-6.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/article\/10.1007\/s10915-019-00959-6\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s10915-019-00959-6.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2020,4,18]],"date-time":"2020-04-18T23:06:35Z","timestamp":1587251195000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/s10915-019-00959-6"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2019,4,20]]},"references-count":17,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2019,8]]}},"alternative-id":["959"],"URL":"https:\/\/doi.org\/10.1007\/s10915-019-00959-6","relation":{},"ISSN":["0885-7474","1573-7691"],"issn-type":[{"value":"0885-7474","type":"print"},{"value":"1573-7691","type":"electronic"}],"subject":[],"published":{"date-parts":[[2019,4,20]]},"assertion":[{"value":"1 October 2018","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"12 March 2019","order":2,"name":"revised","label":"Revised","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"9 April 2019","order":3,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"20 April 2019","order":4,"name":"first_online","label":"First Online","group":{"name":"ArticleHistory","label":"Article History"}}]}}