Static and Frequency-Dependent Dipole-Dipole Polarizabilities of All Closed-Shell Atoms up to Radium : A Four-Component Relativistic DFT Study
- Auteur
- BAST, Radovan1 ; HESSELMANN, Andreas2 ; SALEK, Pawel3 ; HELGAKER, Trygve4 ; SAUE, Trond1
[1] Institut de Chimie UMR 7177 CNRS/Université Louis Pasteur Laboratoire de Chemie Quantique 4 Rue Biaise Pascal, 67000 Strasbourg, France
[2] Lehrstuhl für Theoretische Chemie, Universitàt Erlangen-Nürnberg, 91058 Erlangen, Germany
[3] Laboratory of Theoretical Chemistry, The Royal Institute of Technology, 10691 Stockholm, Sweden
[4] Centre for Theoretical and Computational Chemistry Department of Chemistry, University of Oslo P.O. Box 1033 Blindern, 0315 Oslo, Norway - Source
ChemPhysChem (Print). 2008, Vol 9, Num 3, pp 445-453, 9 p ; ref : 98 ref
- Editeur
- Wiley, Weinheim
- Pays de publication
- Germany
- Type de document
- Article
- Langue
- English
- Mot clé auteur
- ab initio calculations closed-shell atoms density functional calcutations polarizability quantum chemistry
- Mot clé (fr)
- Atome couche complète Calcul ab initio Correction relativiste Dipôle électrique Etat fondamental Etude théorique Méthode fonctionnelle densité Polarisabilité électrique Potentiel effectif Potentiel modèle 3115A 3115E 3130J 3210D
- Mot clé (en)
- Closed shell atom Ab initio calculations Relativistic corrections Electric dipoles Ground states Theoretical study Density functional method Electric polarizability Effective potential Model potential
- Mot clé (es)
- Atomo órbita completa Polarizabilidad eléctrica Potencial efectivo Potencial modelo
- Classification
- Pascal
- 001 Sciences exactes et technologie / 001B Physique / 001B30 Physique atomique et moleculaire / 001B30A Structure électronique des atomes, des molécules et de leurs ions: théorie / 001B30A15 Calculs et techniques mathématiques en physique atomique et moléculaire (sauf les calculs de corrélation électronique) / 001B30A15A Calculs ab initio
- Pascal
- 001 Sciences exactes et technologie / 001B Physique / 001B30 Physique atomique et moleculaire / 001B30A Structure électronique des atomes, des molécules et de leurs ions: théorie / 001B30A15 Calculs et techniques mathématiques en physique atomique et moléculaire (sauf les calculs de corrélation électronique) / 001B30A15E Théorie de la fonctionnelle de densité
- Pascal
- 001 Sciences exactes et technologie / 001B Physique / 001B30 Physique atomique et moleculaire / 001B30A Structure électronique des atomes, des molécules et de leurs ions: théorie / 001B30A30 Corrections aux calculs de structure électronique / 001B30A30J Effets relativistes et d'électrodynamique quantique dans les atomes et les molécules
- Pascal
- 001 Sciences exactes et technologie / 001B Physique / 001B30 Physique atomique et moleculaire / 001B30B Propriétés atomiques et interactions avec les photons / 001B30B10 Propriétés des atomes et des ions atomiques / 001B30B10D Moments électriques et magnétiques, polarisabilité
- Discipline
- Atomic and molecular physics
- Provenance
- Inist-CNRS
- Base de données
- PASCAL
- Identifiant INIST
- 20126220
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1002/cphc.200700504 
https://dx.doi.org/10.1002/cphc.200700504
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