Static and frequency-dependent dipole-dipole polarizabilities of all closed-shell atoms up to radium: A four-component relativistic DFT study

ChemPhysChem

Volumn 9, Issue 3, 2008, Pages 445-453

  Bast, Radovan ^a   Heßelmann, Andreas ^b   Sałek, Paweł ^c   Helgaker, Trygve ^d   Saue, Trond ^a  

^a UNIVERSITÉ LOUIS PASTEUR   (France)

^b UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

^c ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^d UNIVERSITY OF OSLO   (Norway)

Author keywords

Ab initio calculations; Closed shell atoms; Density functional calculations; Polarizability; Quantum chemistry

Indexed keywords

CALCULATIONS; DENSITY FUNCTIONAL THEORY; DESIGN FOR TESTABILITY; GROUND STATE; NUMERICAL METHODS; POLARIZATION; QUANTUM CHEMISTRY; RADIUM;

AB INITIO CALCULATIONS; CLOSED SHELL ATOMS; COUPLED-CLUSTER SINGLES; EFFECTIVE CORE POTENTIAL; ELECTRIC DIPOLE POLARIZABILITY; FINITE FIELD CALCULATIONS; POLARIZABILITIES; RELATIVISTIC DENSITY FUNCTIONAL THEORY;

ATOMS;

EID: 40149112009     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.200700504     Document Type: Article

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