Titre de série :	Topics in Current Chemistry
Titre :	Vol.203 : Correlation and localization
Type de document :	texte imprimé
Auteurs :	Peter R. Surjan, Éditeur scientifique
Editeur :	Berlin, Heidelberg : Springer
Année de publication :	1999
Collection :	Topics in Current Chemistry, ISSN 0340-1022 num. 203
Importance :	xi, 233 p.
Format :	24 cm
ISBN/ISSN/EAN :	978-3-540-65754-5
Langues :	Anglais (eng)
Note de contenu :	"* Electron correlation in small molecules: Grafting CI onto CC * Extremal electron pairs — Application to electron correlation, especially the R12 method * Many-body perturbation theory with localized orbitals — Kapuy’s approach * An introduction to the theory of geminals * Extended geminal modelsab initio modern valence bond theory * Modern correlation theories for extended, periodic systems * Local space approximation methods for correlated electronic structure calculations in large delocalized systems that are locally perturbed * Local electron densities and functional groups in quantum chemistry * Electron correlation and reduced density matrices * Localization via density functionals."
Cote :	EXCLU (SdL)
Num_Inv :	1456
En ligne :	http://dx.doi.org/10.1007/3-540-48972-X

Topics in Current Chemistry. Vol.203 : Correlation and localization [texte imprimé] / Peter R. Surjan, Éditeur scientifique . - Berlin, Heidelberg : Springer, 1999 . - xi, 233 p. ; 24 cm. - (Topics in Current Chemistry, ISSN 0340-1022; 203) .
ISBN : 978-3-540-65754-5
Langues : Anglais (eng)

Note de contenu :	"* Electron correlation in small molecules: Grafting CI onto CC * Extremal electron pairs — Application to electron correlation, especially the R12 method * Many-body perturbation theory with localized orbitals — Kapuy’s approach * An introduction to the theory of geminals * Extended geminal modelsab initio modern valence bond theory * Modern correlation theories for extended, periodic systems * Local space approximation methods for correlated electronic structure calculations in large delocalized systems that are locally perturbed * Local electron densities and functional groups in quantum chemistry * Electron correlation and reduced density matrices * Localization via density functionals."
Cote :	EXCLU (SdL)
Num_Inv :	1456
En ligne :	http://dx.doi.org/10.1007/3-540-48972-X