Equation-of-motion coupled-cluster study of Jahn–Teller effect in X2E CF3O• and CF3S•

2006 ◽  
Vol 106 (13) ◽  
pp. 2609-2616 ◽  
Author(s):  
Aleksandr V. Marenich ◽  
James E. Boggs
Keyword(s):  
Equation Of Motion ◽  
Teller Effect ◽  
Coupled Cluster ◽  
Jahn Teller ◽  
Jahn Teller Effect

OPTIMAL COUPLED-CLUSTER APPROXIMATION FOR THE E⊗(b1+b2) JAHN–TELLER EFFECT

2005 ◽  
Vol 19 (30) ◽  
pp. 4495-4515
Author(s):  
L. P. LO ◽  
C. F. LO
Keyword(s):  
Ground State ◽  
Teller Effect ◽  
Coupled Cluster ◽  
Mathematical Treatment ◽  
Cluster Approximation ◽  
Jahn Teller ◽  
Jahn Teller Effect ◽  
Interacting Systems ◽  
Coupling Strengths ◽  
Better Than

In this work we have applied the optimal coupled-cluster approximation to study the ground state of the E⊗(b1+b2) Jahn–Teller effect. The effectiveness of the optimal coupled-cluster approximation has been investigated for the whole range of the asymmetry parameter and various coupling strengths. It is shown that our results up to the third level of approximation are in very good agreement with the exact numerical diagonalization results and are better than those from earlier variational treatments. Furthermore, unlike previous variational treatments, the optimal coupled-cluster approximation has the advantage that the accuracy of both the ground state energy and wavefunction estimates is being taken care of and can be systematically improved. Since the mathematical treatment in this work is simple, the optimal coupled-cluster approximation could be easily extended to the studies of other fermion-boson interacting systems, e.g. the extended Jahn–Teller system.

scholarly journals Simple accurate coupled cluster results for the linear E⊗e pseudo-Jahn–Teller effect

2000 ◽  
Vol 113 (10) ◽  
pp. 4008-4015 ◽  
Author(s):  
R. F. Bishop ◽  
N. J. Davidson ◽  
R. M. Quick ◽  
D. M. van der Walt
Keyword(s):  
Teller Effect ◽  
Coupled Cluster ◽  
Jahn Teller ◽  
Jahn Teller Effect

EPR of Cu2+-doped Cs2CO3and CsHCO3: evidence of the Jahn–Teller effect

2009 ◽  
Vol 164 (2) ◽  
pp. 132-137
Author(s):  
Fevzi Köksal ◽  
Dilek Demir ◽  
Rahmi Köseoğlu
Keyword(s):  
Teller Effect ◽  
Jahn Teller ◽  
Jahn Teller Effect

Jahn-Teller effect and EPR of CrO3−4 centres in x-irradiated 3CdSO4 · 8H2O crystals

1994 ◽  
Vol 55 (8) ◽  
pp. 727-735 ◽  
Author(s):  
M. Salagram ◽  
T.S.N. Murthy ◽  
K. Madhukar ◽  
C.S. Sunandana
Keyword(s):  
Teller Effect ◽  
Jahn Teller ◽  
Jahn Teller Effect
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