Equation-of-motion coupled-cluster study of Jahn–Teller effect in X2E CF3O• and CF3S•
Author:
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Reference29 articles.
1. Modern Aspects of the Jahn−Teller Effect Theory and Applications To Molecular Problems
2. Quantitative insights about molecules exhibiting Jahn-Teller and related effects
3. Jahn−Teller Effect versus Spin−Orbit Coupling in X2E CH3S: An ab Initio Study by the Equation-of-Motion Coupled Cluster Method and Multiconfiguration Quasi-Degenerate Second-Order Perturbation Theory
4. A model spin-vibronic Hamiltonian for twofold degenerate electron systems: A variational ab initio study of X̃ 2E CH3O•
5. Ab Initio Study of Spin-Vibronic Dynamics in the Ground X̃2E and Excited Ã2A1 Electronic States of CH3S•
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3. First-Principles Calculation of Jahn–Teller Rotational Distortion Parameters;The Journal of Physical Chemistry A;2019-05-22
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