Symmetry breaking in the ground state of BNB: A high level multireference study

Journal of Chemical Physics

Volumn 130, Issue 18, 2009, Pages

  Liu, Yang ^a   Zou, Wenli ^a   Bersuker, Isaac B ^a   Boggs, James E ^a  

^a UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADIABATIC POTENTIAL ENERGY SURFACE; ASYMMETRIC STRETCHING; CAS-SCF; DYNAMICAL CORRELATIONS; FIRST EXCITED STATE; GLOBAL MINIMA; JAHN TELLER EFFECT; MULTI REFERENCE; NON-CENTROSYMMETRIC; REFERENCE STATE; SYMMETRY-BREAKING; VIBRONIC INTERACTIONS;

POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; STRETCHING;

GROUND STATE;

EID: 67249146955     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3129822     Document Type: Article

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