Variational calculations of HBN energy levels in the X 2Π and A 2Σ+ states

Journal of Chemical Physics

Volumn 119, Issue 8, 2003, Pages 4197-4203

  Biczysko, Malgorzata ^a   Tarroni, Riccardo ^a   Carter, Stuart ^b,c  

^a UNIVERSITY OF BOLOGNA   (Italy)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^c Department of Chemistry ^*  (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BORON COMPOUNDS; CALCULATIONS; COMPUTER SIMULATION; GROUND STATE; HAMILTONIANS; ISOMERIZATION; POLYNOMIALS; POTENTIAL ENERGY; VARIATIONAL TECHNIQUES;

BORN-OPPENHEIMER APPROXIMATION; FERMI RESONANCE; ISOMERIZATION BARRIER; POTENTIAL ENERGY SURFACES; RENNER-TELLER EFFECT; SOFTWARE PACKAGE SURFIT; VIBRONIC COUPLING EFFECTS;

MOLECULAR VIBRATIONS;

EID: 0041880265     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1594174     Document Type: Article

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23. 2A′) PES expansion coefficient and complete list of Σ and Φ energy levels for HBN and DBN. A direct link to this document may be found in the online article's HTML reference section. The document may also be reached via the EPAPS homepage (http://www.aip.org/pubservs/epaps.html) or from ftp.aip.org in the directory /epaps/. See the EPAPS homepage for more information.