A Comparison of One-Particle Basis Set Completeness, Higher-Order Electron Correlation, Relativistic Effects, and Adiabatic Corrections for Spectroscopic Constants of BH, CH +, and NH

Journal of Physical Chemistry A

Volumn 108, Issue 15, 2004, Pages 3068-3075

  Temelso, Berhane ^a   Valeev, Edward F ^a   Sherrill, C David ^a  

^a GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR PROPERTIES; VIBRATIONAL FREQUENCIES; WAVE FUNCTION;

BENCHMARKING; COMPUTATIONAL COMPLEXITY; COMPUTATIONAL METHODS; CORRELATION METHODS; DATA REDUCTION; ELECTRONIC STRUCTURE; MATHEMATICAL MODELS; PERTURBATION TECHNIQUES; SPECTROSCOPIC ANALYSIS;

MOLECULAR STRUCTURE;

EID: 2342525334     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp036933+     Document Type: Article

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