Using pseudopotentials within the interacting quantum atoms approach

Journal of Physical Chemistry A

Volumn 113, Issue 27, 2009, Pages 7963-7971

  Tiana, Davide ^a,b   Francisco, E ^a   Blanco, M A ^a   Pendás, A Martín ^a  

^a UNIVERSITY OF OVIEDO   (Spain)

^b UNIVERSITY OF MILAN   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC POPULATION; CHEMICAL BONDINGS; COMPUTATIONAL LIMITATIONS; DENSITY MATRIX; EFFECTIVE CORE POTENTIAL; ELECTRONIC STRUCTURE CALCULATIONS; EXCHANGE CORRELATION ENERGY; INTERATOMIC SURFACES; PSEUDOPOTENTIAL; PSEUDOPOTENTIALS; QUANTUM ATOMS; TEST SYSTEMS;

CHEMICAL BONDS; ELECTRONIC STRUCTURE;

ATOMS;

EID: 67649845863     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp901753p     Document Type: Article

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