New relativistic ANO basis sets for actinide atoms

Chemical Physics Letters

Volumn 409, Issue 4-6, 2005, Pages 295-299

  Roos, Björn O ^a   Lindh, Roland ^a   Malmqvist, Per Åke ^a   Veryazov, Valera ^a   Widmark, Per Olof ^a  

^a CHEMICAL CENTER   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

ACTINIDES; CARRIER CONCENTRATION; CORRELATION METHODS; ELECTRONIC DENSITY OF STATES; FUNCTIONS; HAMILTONIANS; IONIZATION; PERTURBATION TECHNIQUES;

ACTINIDE ATOMS; ATOMIC NATURAL ORBITAL (ANO) TYPE; DOUGLAS-KROLL-HESS (DKH) HAMILTONIAN; IONIZATION ENERGIES;

MOLECULAR DYNAMICS;

EID: 20644467263     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.05.011     Document Type: Article

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