The journal of physical chemistry letters
A Meta-Generalized Gradient Approximation for the Cavity-Dependent Exchange-Correlation Interaction in Strongly Coupled Light-Matter Systems.
Daniel Mejia-Rodriguez, Niranjan Govind
Published: 202510.1021/acs.jpclett.5c02285
Abstract
Strong light-matter coupling in optical cavities enables the manipulation of chemical and physical properties without altering molecular composition. Theoretical modeling of such phenomena requires exchange-correlation (XC) functionals that account f…
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