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A New Method to Describe the Multimode Jahn–Teller Effect Using Density Functional Theory
(Springer, Berlin, Heidelberg, 2009)
A new method for the analysis of the adiabatic potential energy surfacesof Jahn–Teller (JT) active molecules is presented. It is based on the analogy betweenthe JT distortion and reaction coordinates. Within the harmonic ...
A New Method to Describe the Multimode Jahn–Teller Effect Using Density Functional Theory
(Springer, Berlin, Heidelberg, 2009)
A new method for the analysis of the adiabatic potential energy surfaces
of Jahn–Teller (JT) active molecules is presented. It is based on the analogy between
the JT distortion and reaction coordinates. Within the harmonic ...