A new "spectroscopic" potential energy surface for formaldehyde in its ground electronic state

Journal of Chemical Physics

Volumn 134, Issue 24, 2011, Pages

  Yachmenev, Andrey ^a   Yurchenko, Sergei N ^b   Jensen, Per ^c   Thiel, Walter ^a  

^a MAX PLANCK INSTITUT FÜR KOHLENFORSCHUNG   (Germany)

^b DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

^c UNIVERSITY OF WUPPERTAL   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; BASIS SETS; CCSD; CONFIGURATION SPACE; ENERGY RANGES; EXPERIMENTAL DATA; GROUND ELECTRONIC STATE; INITIAL PARAMETER; LEAST SQUARE; PARAMETER VALUES; RO-VIBRATIONAL ENERGIES; ROOT-MEAN SQUARE ERRORS; SPECTROSCOPIC DATA;

EIGENVALUES AND EIGENFUNCTIONS; ELECTRONIC STATES; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; REFINING; VIBRATION ANALYSIS;

FORMALDEHYDE;

EID: 79960198871     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3599927     Document Type: Article

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