The Ground State of the Dirac-Fock Energy for Molecules and Crystals - IPAM at UCLA

Explore a 48-minute conference talk on the ground state of the Dirac-Fock energy for molecules and crystals, presented by Eric Séré from Université de Paris IX at IPAM's Model Reduction in Quantum Mechanics Workshop. Delve into a new definition of the ground state for the Dirac-Fock energy, inspired by Lieb's relaxed variational principle for Hartree-Fock. Examine the existence results for molecules and crystals, and discover how the proof suggests an algorithm for ground state computation, generalizing the ODA algorithm of Cances-Lebris. Learn about ongoing work in implementing and testing this algorithm, as well as collaborative efforts with other researchers. The talk covers topics such as nonrelativistic and relativistic quantum mechanics, wave functions, Dirac-Fock equations and energy, lambda-1 minmax characterization, Euler-Lagrange equations, noble gases, and direct focus crystals.