Coupled cluster and density functional studies on geometries and energies of excited C2v states of ozone

Journal of Chemical Physics

Volumn 130, Issue 12, 2009, Pages

  Grein, Friedrich ^a  

^a UNIVERSITY OF NEW BRUNSWICK   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EXCITATION ENERGY; EXCITED STATES; GEOMETRY; OZONE; PROBABILITY DENSITY FUNCTION; SULFUR COMPOUNDS;

ADIABATIC EXCITATION ENERGIES; BENDING POTENTIALS; BOND DISTANCES; CCSD; COUPLED CLUSTERS; DENSITY-FUNCTIONAL STUDIES; DENSITY-FUNCTIONAL THEORIES; DETERMINANT METHODS; GEOMETRY OPTIMIZATIONS; HARMONIC FREQUENCIES; LOW-LYING SINGLETS; MULTI REFERENCE CONFIGURATION INTERACTIONS; OZONE MOLECULES; SADDLE POINTS; THEORETICAL VALUES; TIME-DEPENDENT DFT; TRIPLET STATE; VERTICAL EXCITATION ENERGIES; VIBRATIONAL FREQUENCIES;

DENSITY FUNCTIONAL THEORY;

EID: 63649135878     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3099609     Document Type: Article

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