In computational chemistry, orbital-free density functional theory is a quantum mechanical approach to electronic structure determination which is based on functionals of the electronic density. It is most closely related to the Thomas–Fermi model. Orbital-free density functional theory is, at present, less accurate than Kohn–Sham density functional theory models, but has the advantage of being fast, so that it can be applied to large systems. (Wikipedia).
Time-Dependent Density Functional Theory
Associate Professor Neepa Maitra of Hunter College explains how she uses time-dependent density functional theory to examine the effects of magnetic fields on atoms, molecules and solids.
From playlist Density Functional Theory (DFT), Vasp, and Molecular Mechanics - Beginner's Lectures
Robert Seiringer: The local density approximation in density functional theory
We present a mathematically rigorous justification of the Local Density Approximation in density functional theory. We provide a quantitative estimate on the difference between the grand-canonical Levy-Lieb energy of a given density (the lowest possible energy of all quantum st
From playlist Mathematical Physics
Coordinate Scaling Constraints in Density and Density- Matrix Functional Theories
Mel Levy, Tulane University, USA
From playlist Distinguished Visitors Lecture Series
Teach Astronomy - Density Parameter
http://www.teachastronomy.com/ Another fundamental quantity of the big bang model is the density parameter. It's defined as the ratio of the mean density of the universe to the density just needed to overcome the cosmic expansion. The density parameter is denoted by the Greek symbol capi
From playlist 22. The Big Bang, Inflation, and General Cosmology
Julien Toulouse - Basis-set correction based on density-functional theory - IPAM at UCLA
Recorded 02 May 2022. Julien Toulouse of Sorbonne University, LCT, presents "Basis-set correction based on density-functional theory: Rigorous framework for a one-dimensional model" at IPAM's Large-Scale Certified Numerical Methods in Quantum Mechanics Workshop. Abstract: We reexamine the
From playlist 2022 Large-Scale Certified Numerical Methods in Quantum Mechanics
Functional Analysis Lecture 14 2014 03 11 BMO is the dual of H^1; Distributions
Showing that integration against a BMO function is a bounded linear functional on Hardy space (using the atomic decomposition): case of an L^infinity function; case of general BMO function. Proof of converse statement. Distributions. Set D of infinitely differentiable functions of compa
From playlist Course 9: Basic Functional and Harmonic Analysis
Susanna Terracini : Regularity of the optimal sets for spectral functionals
Abstract: In this talk we deal with the regularity of optimal sets for a shape optimization problem involving a combination of eigenvalues, under a fixed volume constraints. As a model problem, consider min{λ1(Ω)+⋯+λk(Ω) : Ω⊂ℝd, open , |Ω|=1}, where ⟨i(⋅) denotes the eigenvalues of the Di
From playlist Control Theory and Optimization
Alexandre Tkatchenko - Many-body perturbation theory and wavefunction methods: A Physics perspective
Recorded 08 March 2022. Alexandre Tkatchenko of the University of Luxembourg presents "Many-body perturbation theory and wavefunction methods: A Physics perspective" at IPAM's Advancing Quantum Mechanics with Mathematics and Statistics Tutorials. Learn more online at: http://www.ipam.ucla.
From playlist Tutorials: Advancing Quantum Mechanics with Mathematics and Statistics - March 8-11, 2022
Lec 8 | MIT 3.320 Atomistic Computer Modeling of Materials
Case Studies of DFT View the complete course at: http://ocw.mit.edu/3-320S05 License: Creative Commons BY-NC-SA More information at http://ocw.mit.edu/terms More courses at http://ocw.mit.edu
From playlist MIT 3.320 Atomistic Computer Modeling of Materials
Kieron Burke - Elements of electronic structure calculations: HF and DFT - IPAM at UCLA
Recorded 08 March 2022. Kieron Burke of the University of California, Irvine, presents "Elements of electronic structure calculations: HF and DFT" at IPAM's Advancing Quantum Mechanics with Mathematics and Statistics Tutorials. Abstract: I will introduce basic concepts and methodology of m
From playlist Tutorials: Advancing Quantum Mechanics with Mathematics and Statistics - March 8-11, 2022
MagLab Theory Winter School 2019: Kristjan Haule part 2
Topic: The National MagLab held it's seventh Theory Winter School in Tallahassee, FL from January 7th - 11th, 2019.
From playlist 2019 Theory Winter School
Quantum Field Theory 5b - Classical Electrodynamics II
[Reupload to correct color encoding issues] We complete our discussion of the electron self-force problem and introduce the concept of (classical) mass renormalization.
From playlist Quantum Field Theory
Roi Baer - Stochastic Vector Methods for extended systems - IPAM at UCLA
Recorded 11 April 2022. Roi Baer of Hebrew University, Chemistry, presents "Stochastic Vector Methods for extended systems" at IPAM's Model Reduction in Quantum Mechanics Workshop. Abstract: Stochastic vector computational approaches for the electronic structure of extended condensed matte
From playlist 2022 Model Reduction in Quantum Mechanics Workshop
George Booth - A rigorous framework for embedding realistic interacting quantum systems - IPAM UCLA
Recorded 01 April 2022. George Booth of King's College London presents "A rigorous framework for embedding realistic interacting quantum systems" at IPAM's Multiscale Approaches in Quantum Mechanics Workshop. Abstract: We will discuss a recent reformulation of quantum embedding suitable fo
From playlist 2022 Multiscale Approaches in Quantum Mechanics Workshop
Volker Bach - The Hartree-Fock Approximation and its Generalizations - IPAM at UCLA
Recorded 11 April 2022. Volker Bach of TU Braunschweig presents "The Hartree-Fock Approximation and its Generalizations" at IPAM's Model Reduction in Quantum Mechanics Workshop. Abstract: In the talk the Hartree-Fock (HF) approximation in quantum mechanics will be reviewed. The following p
From playlist 2022 Model Reduction in Quantum Mechanics Workshop
Vikram Gavini - DFT 2 - Density functional theory - IPAM at UCLA
Recorded 15 March 2023. Vikram Gavini of the University of Michigan presents "DFT 2 - density functional theory" at IPAM's New Mathematics for the Exascale: Applications to Materials Science Tutorials. Learn more online at: http://www.ipam.ucla.edu/programs/workshops/new-mathematics-for-th
From playlist 2023 New Mathematics for the Exascale: Applications to Materials Science Tutorials
Introduction to Solid State Physics, Lecture 21: Physics of Two-Dimensional Systems
Upper-level undergraduate course taught at the University of Pittsburgh in the Fall 2015 semester by Sergey Frolov. The course is based on Steven Simon's "Oxford Solid State Basics" textbook. Lectures recorded using Panopto, to see them in Panopto viewer follow this link: https://pitt.host
From playlist Introduction to Solid State Physics
I introduce the Bergman kernel of a domain and study its first properties. For more on this topic see Chapter 1.4 of Krantz's "Function theory of several complex variables."
From playlist Several Complex Variables
MagLab Theory Winter School 2019: Kristjan Haule Part 1
Topic: Correlations in solids within embedded Dynamical Mean Field Theory functional The National MagLab held it's seventh Theory Winter School in Tallahassee, FL from January 7th - 11th, 2019.
From playlist 2019 Theory Winter School