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Updated: Jul 15, 2026

Novel Techniques for Observing Structural Dynamics of Photoresponsive Liquid Crystals
Published on: May 29, 2018
Excitation energies and photoabsorption oscillator strengths of the Rydberg series in CF3Cl. A linear response and
J Pitarch-Ruiz1, A Sánchez de Merás, J Sánchez-Marín
1Institut de Ciencia Molecular, Departament de Química Física, Facultat de Ciències Químiques, Campus Burjassot-Paterna, Universitat de València, E-46100 Valencia, Spain.
Abstract:
Vertical excitation energies of the CF(3)Cl molecule have been obtained from a response function approach with a CC reference function to determine absolute photoabsorption oscillator strengths in the molecular-adapted quantum defect orbital formalism (MQDO). The present work covers more highly excited Rydberg states than have been experimentally reported. Assessing of the reliability of the present calculations is provided through a comparative analysis between the results of the molecule and the Cl atom. This can be used to allow for predictions of the same type of properties in other analogous systems.
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