2 papers
physics.chem-ph2026
A Perspective on Phase Space Electronic Structure Theory : From Its Surface Hopping Origins Through To Its Future Promise
Joseph E. Subotnik, Ethan Alguire, Nicole Bellonzi +20
We trace the history of phase space electronic structure theory (PSEST), high- lighting how this powerful approach emerged from fundamental questions in semi- classical surface hop…
physics.chem-ph2026
Spin-Flip Configuration Interaction for Strong Static Correlation in Quantum Electrodynamics
Braden M. Weight, Zheng Pei, Sergei Tretiak
In computational chemistry of molecular materials, strong static correlation effects appear when electronic states, often involving the ground state, become quasi-degenerate, as oc…