Titre de série :	Topics in Current Chemistry
Titre :	Vol.365 : Density functionals. Thermochemistry
Type de document :	texte imprimé
Auteurs :	Erin R. Johnson, Éditeur scientifique
Editeur :	Berlin, Heidelberg : Springer
Année de publication :	2015
Collection :	Topics in Current Chemistry, ISSN 0340-1022 num. 365
Importance :	vii, 189 p.
Format :	24 cm
ISBN/ISSN/EAN :	978-3-319-19691-6
Langues :	Anglais (eng)
Note de contenu :	"* Accurate thermochemistry for large molecules with modern density functionals * Density functional theory beyond the generalized gradient approximation for surface chemistry * Short-range cut-off of the summed-up van der Waals series: Rare-gas dimers * Judging density-functional approximations: Some pitfalls of statistics * The ring and exchange-ring approximations based on Kohn–Sham reference states * Non-analytic spin-density functionals * Fractional Kohn–Sham occupancies from a strong-correlation density functional."
Cote :	EXCLU (SdL)
Num_Inv :	3351

Topics in Current Chemistry. Vol.365 : Density functionals. Thermochemistry [texte imprimé] / Erin R. Johnson, Éditeur scientifique . - Berlin, Heidelberg : Springer, 2015 . - vii, 189 p. ; 24 cm. - (Topics in Current Chemistry, ISSN 0340-1022; 365) .
ISBN : 978-3-319-19691-6
Langues : Anglais (eng)

Note de contenu :	"* Accurate thermochemistry for large molecules with modern density functionals * Density functional theory beyond the generalized gradient approximation for surface chemistry * Short-range cut-off of the summed-up van der Waals series: Rare-gas dimers * Judging density-functional approximations: Some pitfalls of statistics * The ring and exchange-ring approximations based on Kohn–Sham reference states * Non-analytic spin-density functionals * Fractional Kohn–Sham occupancies from a strong-correlation density functional."
Cote :	EXCLU (SdL)
Num_Inv :	3351