Toward spectroscopic accuracy for open-shell systems: Molecular structure and hyperfine coupling constants of H2 CN, H2 CP, NH 2, and PH2 as test cases

Journal of Chemical Physics

Volumn 133, Issue 18, 2010, Pages

  Puzzarini, Cristina ^a   Barone, Vincenzo ^b  

^a UNIVERSITY OF BOLOGNA   (Italy)

^b SCUOLA NORMALE SUPERIORE   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; BENCHMARK DATABASE; COMPLETE BASIS SET LIMIT; COMPUTATIONAL APPROACH; CORE CORRELATION; CORRELATION TREATMENT; COUPLED CLUSTERS; EXPERIMENTAL DATA; GASPHASE; GEOMETRICAL EFFECT; GEOMETRICAL PARAMETERS; HYDROGEN ATOMS; HYPERFINE COUPLING; HYPERFINE COUPLING CONSTANTS; OPEN-SHELL SYSTEMS; TEST CASE; VIBRATIONAL CORRECTIONS;

MAGNETIC PROPERTIES;

ISOMERS;

EID: 78449293658     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3503763     Document Type: Article

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