All-electron first principles calculations of the ground and some low-lying excited states of BaI

Journal of Physical Chemistry A

Volumn 111, Issue 39, 2007, Pages 10002-10009

  Miliordos, Evangelos ^a   Papakondylis, Aristotle ^a   Tsekouras, Athanasios A ^a   Mavridis, Aristides ^a  

^a UNIVERSITY OF ATHENS   (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; EXCITED STATES; GROUND STATE; PARAMETER ESTIMATION; POTENTIAL ENERGY;

DIATOMIC MOLECULES; DOUGLAS-KROLL-HESS APPROXIMATIONS; MULTICONFIGURATIONAL CONFIGURATION INTERACTIONS; SPECTROSCOPIC PARAMETERS;

ELECTRONIC STRUCTURE;

EID: 35348983383     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0745788     Document Type: Article

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