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

Offered By: Institute for Pure & Applied Mathematics (IPAM) via YouTube

Tags

Density Functional Theory Courses Quantum Mechanics Courses Mathematical Analysis Courses

Course Description

Overview

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.

Syllabus

Julien Toulouse - Basis-set correction based on density-functional theory - IPAM at UCLA


Taught by

Institute for Pure & Applied Mathematics (IPAM)

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