Complete basis set limit extrapolation calculations with PNOF3

Chemical Physics Letters

Volumn 499, Issue 1-3, 2010, Pages 164-167

  Matxain, J M ^a   Piris, M ^a,b   Lopez, X ^a   Ugalde, J M ^a  

^a UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

^b BASQUE FOUNDATION FOR SCIENCE   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; BENCHMARK DATA; COMPLETE BASIS SET LIMIT; COMPLETE BASIS SETS; LOWER BOUNDS; NATURAL ORBITAL FUNCTIONAL; TOTAL ENERGY;

ELECTRIC CIRCUIT BREAKERS; EXCITED STATES; EXPONENTIAL FUNCTIONS; NEON;

EXTRAPOLATION;

EID: 77957840322     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.09.004     Document Type: Article

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