The Perdew–Burke–Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set. Paier, J., Hirschl, R., Marsman, M., & Kresse, G. The Journal of Chemical Physics, 122(23):234102–13, June, 2005. ![The Perdew–Burke–Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set [link]](https://bibbase.org/img/filetypes/link.svg "link")
Paper doi bibtex @article{paier_perdew--burke--ernzerhof_2005,
title = {The {Perdew}--{Burke}--{Ernzerhof} exchange-correlation functional applied to the {G2}-1 test set using a plane-wave basis set},
volume = {122},
url = {http://link.aip.org/link/?JCP/122/234102/1},
doi = {10.1063/1.1926272},
number = {23},
urldate = {2009-10-09},
journal = {The Journal of Chemical Physics},
author = {Paier, Joachim and Hirschl, Robin and Marsman, Martijn and Kresse, Georg},
month = jun,
year = {2005},
keywords = {ab initio calculations, dissociation energies, electron correlations, molecular configurations},
pages = {234102--13},
}
Downloads: 0
{"_id":"aRp7QB6rrW4qCbTaT","bibbaseid":"paier-hirschl-marsman-kresse-theperdewburkeernzerhofexchangecorrelationfunctionalappliedtotheg21testsetusingaplanewavebasisset-2005","author_short":["Paier, J.","Hirschl, R.","Marsman, M.","Kresse, G."],"bibdata":{"bibtype":"article","type":"article","title":"The Perdew–Burke–Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set","volume":"122","url":"http://link.aip.org/link/?JCP/122/234102/1","doi":"10.1063/1.1926272","number":"23","urldate":"2009-10-09","journal":"The Journal of Chemical Physics","author":[{"propositions":[],"lastnames":["Paier"],"firstnames":["Joachim"],"suffixes":[]},{"propositions":[],"lastnames":["Hirschl"],"firstnames":["Robin"],"suffixes":[]},{"propositions":[],"lastnames":["Marsman"],"firstnames":["Martijn"],"suffixes":[]},{"propositions":[],"lastnames":["Kresse"],"firstnames":["Georg"],"suffixes":[]}],"month":"June","year":"2005","keywords":"ab initio calculations, dissociation energies, electron correlations, molecular configurations","pages":"234102–13","bibtex":"@article{paier_perdew--burke--ernzerhof_2005,\n\ttitle = {The {Perdew}--{Burke}--{Ernzerhof} exchange-correlation functional applied to the {G2}-1 test set using a plane-wave basis set},\n\tvolume = {122},\n\turl = {http://link.aip.org/link/?JCP/122/234102/1},\n\tdoi = {10.1063/1.1926272},\n\tnumber = {23},\n\turldate = {2009-10-09},\n\tjournal = {The Journal of Chemical Physics},\n\tauthor = {Paier, Joachim and Hirschl, Robin and Marsman, Martijn and Kresse, Georg},\n\tmonth = jun,\n\tyear = {2005},\n\tkeywords = {ab initio calculations, dissociation energies, electron correlations, molecular configurations},\n\tpages = {234102--13},\n}\n\n\n\n","author_short":["Paier, J.","Hirschl, R.","Marsman, M.","Kresse, G."],"key":"paier_perdew--burke--ernzerhof_2005","id":"paier_perdew--burke--ernzerhof_2005","bibbaseid":"paier-hirschl-marsman-kresse-theperdewburkeernzerhofexchangecorrelationfunctionalappliedtotheg21testsetusingaplanewavebasisset-2005","role":"author","urls":{"Paper":"http://link.aip.org/link/?JCP/122/234102/1"},"keyword":["ab initio calculations","dissociation energies","electron correlations","molecular configurations"],"metadata":{"authorlinks":{}},"downloads":0,"html":""},"bibtype":"article","biburl":"https://bibbase.org/zotero/robertorobles","dataSources":["8vvu6PNxwEyxJxvhj"],"keywords":["ab initio calculations","dissociation energies","electron correlations","molecular configurations"],"search_terms":["perdew","burke","ernzerhof","exchange","correlation","functional","applied","test","set","using","plane","wave","basis","set","paier","hirschl","marsman","kresse"],"title":"The Perdew–Burke–Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set","year":2005}