Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Jeffrey Reimers"'
Five effects of correction of the asymptotic potential error in density functionals are identified that significantly improve calculated properties of molecular excited states involving charge-transfer character. Newly developed materials-science com
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7bf79ec0f4c0256f3fc60ae3f901a461
Autor:
Stuart Mackenzie, Attila G Császár, Gerald Wilemski, Alessandro Fortunelli, Gyorgy Tarczay, Friederike Jentoft, Jeffrey Reimers, Richard Doyle, Granozzi Gaetano, Bernd Steinhauer, Gábor Czakó, Maxwell Crossley, Giovanni Barcaro, Randall Winans, James McDonald
Publikováno v:
Physical Chemistry Chemical Physics. 10:7324
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3f256d26b645810203ca1531957add32
https://doi.org/10.1039/b820726g
https://doi.org/10.1039/b820726g
