Pacific Northwest National Laboratory: Cavity Quantum Electrodynamics Complete Active Space Configuration Interaction Theory
April 20, 2024
April 20, 2024
WASHINGTON, April 20 (TNSres) -- The U.S. Department of Energy Pacific Northwest National Laboratory issued the following abstract of a journal article:
* * *
Abstract
Polariton chemistry has attracted great attention as a potential route to modify chemical structure, properties, and reactivity through strong interactions between molecular electronic, vibrational, or rovibrational degrees of freedom. A rigorous theoretical treatment of molecular polaritons . . .
* * *
Abstract
Polariton chemistry has attracted great attention as a potential route to modify chemical structure, properties, and reactivity through strong interactions between molecular electronic, vibrational, or rovibrational degrees of freedom. A rigorous theoretical treatment of molecular polaritons . . .