title: Ferromagnetic spin coupling in the chromium dimer cation: measurements by photodissociation spectroscopy combined with coupled-cluster calculations.
abstract: The magnetic coupling of the chromium dimer cation, Cr2 (+), has been an outstanding problem for decades. An optical absorption spectrum of Cr2 (+) has been obtained by photodissociation spectroscopy in the photon-energy range from 2.0 to 5.0 eV. Besides, calculations have been performed by the equation-of-motion coupled-cluster singles and doubles method for vertical excitation of the species. Their coincidence supports our assignment that the ground electronic state exhibits a ferromagnetic spin coupling, which is contrary to those of neutral and negatively charged dimers, Cr2 and Cr2 (-), in their lowest spin states.
authors: East Tokyo Laboratory, Genesis Research Institute, Inc., 717-86 Futamata, Ichikawa, Chiba 272-0001, Japan.
authors: Kazuhiro
authors: K
authors: Egashira
authors: Quantum Chemistry Division, Yokohama City University, Seto 22-2, Kanazawa-ku, Yokohama 236-0027, Japan.
authors: Yurika
authors: Y
authors: Yamada
authors: Quantum Chemistry Division, Yokohama City University, Seto 22-2, Kanazawa-ku, Yokohama 236-0027, Japan.
authors: Yukiumi
authors: Y
authors: Kita
authors: Quantum Chemistry Division, Yokohama City University, Seto 22-2, Kanazawa-ku, Yokohama 236-0027, Japan.
authors: Masanori
authors: M
authors: Tachikawa