Multiple lines of conical intersections and nondegenerate ground state in T⊗t2 Jahn–Teller systems

2000 ◽  
Vol 112 (19) ◽  
pp. 8470-8482 ◽  
Author(s):  
Hiroyasu Koizumi ◽  
Isaac B. Bersuker ◽  
James E. Boggs ◽  
Victor Z. Polinger
Keyword(s):  
Ground State ◽  
Conical Intersections ◽  
Jahn Teller

Multiple conical intersections in small linear parameter Jahn–Teller systems: the DMBE potential energy surface of ground-state C3 revisited

2018 ◽  
Vol 20 (15) ◽  
pp. 10319-10331 ◽  
Author(s):  
C. M. R. Rocha ◽  
A. J. C. Varandas
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ground State ◽  
Energy Surface ◽  
Linear Parameter ◽  
Conical Intersections ◽  
Perspective View ◽  
Jahn Teller

A perspective view of the potential energy surface of ground-state C3 highlighting the cusp behavior near equilateral triangular geometries.

H⊗h: A Jahn-Teller Coupling That Really Does Reduce the Degeneracy of the Ground State

1996 ◽  
Vol 77 (21) ◽  
pp. 4362-4365 ◽  
Author(s):  
C. P. Moate ◽  
M. C. M. O'Brien ◽  
J. L. Dunn ◽  
C. A. Bates ◽  
Y. M. Liu ◽  
...  
Keyword(s):  
Ground State ◽  
Jahn Teller

Conical intersections: A perspective on the computation of spectroscopic Jahn–Teller parameters and the degenerate ‘intersection space’

2005 ◽  
Vol 7 (10) ◽  
pp. 2100 ◽  
Author(s):  
Martin J. Paterson ◽  
Michael J. Bearpark ◽  
Michael A. Robb ◽  
Lluís Blancafort ◽  
Graham A. Worth
Keyword(s):  
Conical Intersections ◽  
Jahn Teller

Orbital ground state, crystal field splittings, and magnetic hyperfine interactions in iron(II) fluorosulphate

1977 ◽  
Vol 55 (1) ◽  
pp. 115-121 ◽  
Author(s):  
John R. Sams ◽  
Robert C. Thompson ◽  
Tsang Bik Tsin
Keyword(s):  
Crystal Field ◽  
Ground State ◽  
Hyperfine Interactions ◽  
Excited Level ◽  
Quadrupole Coupling Constant ◽  
Spin Coupling ◽  
Rhombic Distortion ◽  
Constant E ◽  
Jahn Teller ◽  
Spin Spin Coupling

Magnetic susceptibilities between 80 and 300 K and 57Fe Mössbauer parameters between 4.2 and 295 K are reported for Fe(SO3F)2. These data have been analysed via a crystal field model including spin–orbit and spin–spin coupling. The compound is trigonally distorted by an elongation along the [111] axis of the FeO6 octahedron, and the ground state is the orbital doublet [Formula: see text]. The quadrupole coupling constant e2qQ is positive, and no rhombic distortion could be detected. The electronic spectrum shows a splitting of the 5Eg excited level, presumably by a dynamic Jahn–Teller effect, and [Formula: see text] Attempts to fit a low-temperature magnetic perturbation Mössbauer spectrum using a pseudo-spin Hamiltonian were only partially successful, but suggest that the g tensor is highly anisotropic with [Formula: see text] and that the internal hyperfine field is small. Spin relaxation in Fe(SO3F)2 is fast at all temperatures down to 4.2 K and in applied magnetic fields of up to 5.0 T.

Jahn-Teller effect and the orbital ground state of Cu2+ ions in Eu2CuO4 and La2CuO4 crystals

1997 ◽  
Vol 39 (9) ◽  
pp. 1425-1432 ◽  
Author(s):  
E. I. Golovenchits ◽  
V. A. Sanina ◽  
A. A. Levin ◽  
Yu. I. Smolin ◽  
Yu. F. Shepelev
Keyword(s):  
Ground State ◽  
Teller Effect ◽  
Jahn Teller ◽  
Jahn Teller Effect
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