Basis-Set Correction Based on Density-Functional Theory - IPAM at UCLA

Basis-Set Correction Based on Density-Functional Theory - IPAM at UCLA

Explore a 33-minute conference talk on basis-set correction theory in quantum mechanics presented by Julien Toulouse from Sorbonne University at IPAM's Large-Scale Certified Numerical Methods in Quantum Mechanics Workshop. Delve into a rigorous framework for a one-dimensional model that addresses basis-set incompleteness errors in wave-function methods using density functional theory. Examine mathematical details, a new variant of basis-set correction, and the development of an adapted local-density approximation using a finite uniform electron gas. Gain insights into improving quantum mechanical calculations and putting basis-set correction theory on firmer ground through this in-depth presentation recorded on May 2, 2022.