Electronic structure of BeH2

International Journal of Quantum Chemistry

Volumn 106, Issue 5, 2006, Pages 1153-1159

  Penotti, Fabio E ^a,b  

^a CNR   (Italy)

^b NONE   (Italy)

Author keywords

Basis set optimization; BeH2; Even tempered basis sets; Nonorthogonal multiconfiguration methods; Nuclear quadrupole coupling constants

Indexed keywords

ELECTRONIC STRUCTURE; OPTIMIZATION; ORBITS;

BASIS-SET OPTIMIZATION; EVEN-TEMPERED BASIS SETS; NONORTHOGONAL MULTICONFIGURATION METHODS; NUCLEAR QUADRUPOLE COUPLING CONSTANTS;

MOLECULAR DYNAMICS;

EID: 33645054790     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.20868     Document Type: Article

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