Density functional theory

Strictly-Correlated-Electrons density functional theory

The Strictly-Correlated-Electrons (SCE) density functional theory (SCE DFT) approach, originally proposed by Michael Seidl, is a formulation of density functional theory, alternative to the widely used Kohn-Sham DFT, especially aimed at the study of strongly-correlated systems. The essential difference between the two approaches is the choice of the auxiliary system (having the same density as the real, physical one). In Kohn-Sham DFT this system is composed by non-interacting electrons, for which the kinetic energy can be calculated exactly and the interaction term has to be approximated. In SCE DFT, instead, the starting point is totally the opposite one: the auxiliary system has infinite electronic correlation and zero kinetic energy. (Wikipedia).

Strictly-Correlated-Electrons density functional theory
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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

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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

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M Harbola - An Introduction to Density Functional Theory

PROGRAM: STRONGLY CORRELATED SYSTEMS: FROM MODELS TO MATERIALS DATES: Monday 06 Jan, 2014 - Friday 17 Jan, 2014 VENUE: Department of Physics, IISc Campus, Bangalore PROGRAM LINK : http://www.icts.res.in/program/MTM2014 The realistic description of materials with strong electron-electro

From playlist Strongly correlated systems: From models to materials

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M Harbola - An Introduction to Density Functional Theory

PROGRAM: STRONGLY CORRELATED SYSTEMS: FROM MODELS TO MATERIALS DATES: Monday 06 Jan, 2014 - Friday 17 Jan, 2014 VENUE: Department of Physics, IISc Campus, Bangalore PROGRAM LINK : http://www.icts.res.in/program/MTM2014 The realistic description of materials with strong electron-electro

From playlist Strongly correlated systems: From models to materials

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M Harbola - An Introduction to Density Functional Theory

PROGRAM: STRONGLY CORRELATED SYSTEMS: FROM MODELS TO MATERIALS DATES: Monday 06 Jan, 2014 - Friday 17 Jan, 2014 VENUE: Department of Physics, IISc Campus, Bangalore PROGRAM LINK : http://www.icts.res.in/program/MTM2014 The realistic description of materials with strong electron-electro

From playlist Strongly correlated systems: From models to materials

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Paola Gori-Giorgi - Large-coupling strength expansion in DFT and Hartree-Fock adiabatic connections

Recorded 14 April 2022. Paola Gori-Giorgi of Vrije Universiteit Amsterdam presents "Large-coupling strength expansion in DFT and Hartree-Fock adiabatic connections" at IPAM's Model Reduction in Quantum Mechanics Workshop. Abstract: In this talk I will review and put into perspective severa

From playlist 2022 Model Reduction in Quantum Mechanics Workshop

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Lexing Ying: "Strictly-correlated Electron Functional and Multimarginal Optimal Transport"

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From playlist Tensor Methods and Emerging Applications to the Physical and Data Sciences 2021

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Gero Friesecke - Fast algorithm for the strong-interaction limit of density functional theory

Recorded 29 March 2022. Gero Friesecke of Technische Universität München presents "Fast algorithm for the strong-interaction limit of density functional theory" at IPAM's Multiscale Approaches in Quantum Mechanics Workshop. Abstract: While not reached in nature, the strong-interaction limi

From playlist 2022 Multiscale Approaches in Quantum Mechanics Workshop

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Chemistry - Electron Structures in Atoms (20 of 40) What Does Probability Density Funct. Mean?

Visit http://ilectureonline.com for more math and science lectures! In this video I will explain what does the Probability Density Function actually means.

From playlist CHEMISTRY 11 ELECTRON ORBITALS AND ATOMIC STRUCTURE

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Mathieu Lewin - Recent results in Density Functional Theory - IPAM at UCLA

Recorded 12 April 2022. Mathieu Lewin of CNRS and Université Paris-Dauphine presents "Recent results in Density Functional Theory" at IPAM's Model Reduction in Quantum Mechanics Workshop. Abstract: I will provide an overview of results obtained recently in density functional theory, in joi

From playlist 2022 Model Reduction in Quantum Mechanics Workshop

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Vijay Shenoy - Fermions in Synthetic Non Abelian Gauge Fields

PROGRAM: STRONGLY CORRELATED SYSTEMS: FROM MODELS TO MATERIALS DATES: Monday 06 Jan, 2014 - Friday 17 Jan, 2014 VENUE: Department of Physics, IISc Campus, Bangalore PROGRAM LINK : http://www.icts.res.in/program/MTM2014 The realistic description of materials with strong electron-electro

From playlist Strongly correlated systems: From models to materials

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Andrew Millis - Twisted Transition Metal Dicalcogenides: Tests of Quantum Embedding and Theories

Recorded 29 March 2022. Andrew Millis of Columbia University presents "Twisted Transition Metal Dicalcogenides: Experimental Tests of Quantum Embedding and Theories" at IPAM's Multiscale Approaches in Quantum Mechanics Workshop. Abstract: The essential task of quantum many-body theory is t

From playlist 2022 Multiscale Approaches in Quantum Mechanics Workshop

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Strongly Correlated Phases in Models with Random Interactions by Darshan G Joshi

COLLOQUIUM : STRONGLY CORRELATED PHASES IN MODELS WITH RANDOM INTERACTIONS SPEAKER : Darshan Joshi (Harvard University, USA) DATE : 06 April 2022 VENUE : Online and Emmy Noether Seminar Room ABSTRACT Strong interactions between electrons gives rise to many fascinating emergent phases

From playlist ICTS Colloquia

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P Blaha - Basic concepts of bandstructure methods and the APW based methods

PROGRAM: STRONGLY CORRELATED SYSTEMS: FROM MODELS TO MATERIALS DATES: Monday 06 Jan, 2014 - Friday 17 Jan, 2014 VENUE: Department of Physics, IISc Campus, Bangalore PROGRAM LINK : http://www.icts.res.in/program/MTM2014 The realistic description of materials with strong electron-electro

From playlist Strongly correlated systems: From models to materials

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Measurement signals, quantum correlation functions (...) - K. Mølmer - PRACQSYS 2018 - CEB T2 2018

Klaus Mølmer (University of Aarhus, Denmark) / 03.07.2018 Measurement signals, quantum correlation functions and quantum trajectories Noise correlations in experiments played a pertinent role in the establishment of the non-classical properties of light. Glauber’s theory of photodetectio

From playlist 2018 - T2 - Measurement and Control of Quantum Systems: Theory and Experiments

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Gero Friesecke: Optimal transport with Coulomb cost

Title: Optimal transport with Coulomb cost: theory and applications to electronic structure of molecules This lecture was held during winter school (01.19.2015 - 01.23.2015)

From playlist HIM Lectures 2015

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Virginie Ehrlacher - Sparse approximation of the Lieb functional in DFT with moment constraints

Recorded 28 March 2023. Virginie Ehrlacher of the École Nationale des Ponts-et-Chaussées presents "Sparse approximation of the Lieb functional in DFT with moment constraints (joint work with Luca Nenna)" at IPAM's Increasing the Length, Time, and Accuracy of Materials Modeling Using Exasca

From playlist 2023 Increasing the Length, Time, and Accuracy of Materials Modeling Using Exascale Computing

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Quantum Well Density of States

https://www.patreon.com/edmundsj If you want to see more of these videos, or would like to say thanks for this one, the best way you can do that is by becoming a patron - see the link above :). And a huge thank you to all my existing patrons - you make these videos possible. Perhaps almos

From playlist Quantum Mechanics

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Density functional theory | Transportation theory (mathematics) | Lieb–Oxford inequality