An intersection seam between the ground state of ozone and an excited state of like symmetry

Journal Article · Thu Nov 15 00:00:00 EST 1990 · Journal of Chemical Physics; (USA)

DOI:https://doi.org/10.1063/1.459379· OSTI ID:6081357

Xantheas, S; Elbert, S T; Ruedenberg, K ^[1]

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1. Ames Laboratory U.S. Department of Energy, Ames, IA (USA) Department of Chemistry, Iowa State University, Ames, IA (USA)

An intersection seam between the ground state of O{sub 3} and its first excited state of the same symmetry ({sup 1}A{prime} in C{sub s}, {sup 1}A{sub 1} in {ital C}{sub 2{ital v}}) has been found by {ital ab} {ital initio} calculations in the neighborhood of the transition state between the ring and open equilibrium structures of the ground state.

• DOE Contract Number: W-7405-ENG-82
• OSTI ID: 6081357
• Journal Information: Journal of Chemical Physics; (USA), Vol. 93:10, Issue 10; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
74 ATOMIC AND MOLECULAR PHYSICS
OZONE
ELECTRONIC STRUCTURE
EXCITED STATES
GROUND STATES
SYMMETRY
ENERGY LEVELS
400201* - Chemical & Physicochemical Properties
640302 - Atomic
Molecular & Chemical Physics- Atomic & Molecular Properties & Theory