Density functional theory

Time-dependent density functional theory

Time-dependent density-functional theory (TDDFT) is a quantum mechanical theory used in physics and chemistry to investigate the properties and dynamics of many-body systems in the presence of time-dependent potentials, such as electric or magnetic fields. The effect of such fields on molecules and solids can be studied with TDDFT to extract features like excitation energies, frequency-dependent response properties, and photoabsorption spectra. TDDFT is an extension of density-functional theory (DFT), and the conceptual and computational foundations are analogous – to show that the (time-dependent) wave function is equivalent to the (time-dependent) electronic density, and then to derive the effective potential of a fictitious non-interacting system which returns the same density as any given interacting system. The issue of constructing such a system is more complex for TDDFT, most notably because the time-dependent effective potential at any given instant depends on the value of the density at all previous times. Consequently, the development of time-dependent approximations for the implementation of TDDFT is behind that of DFT, with applications routinely ignoring this memory requirement. (Wikipedia).

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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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(PP 6.4) Density for a multivariate Gaussian - definition and intuition

The density of a (multivariate) non-degenerate Gaussian. Suggestions for how to remember the formula. Mathematical intuition for how to think about the formula.

From playlist Probability Theory

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Time-Independent Schrödinger Equation | Quantum Mechanics

In this video, we will talk about the time-independent Schrödinger equation in quantum mechanics. If we start with the time-dependent Schrödinger equation, we can get to the time-independent one by performing a separation of variables on the wave function, where we claim that the time depe

From playlist Quantum Mechanics, Quantum Field Theory

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Stationary States in Quantum Mechanics

We use separation of variables to study solutions to the time-dependent Schrodinger's equation, and demonstrate the existence of stationary states - states whose probability density is independent of time.

From playlist Quantum Mechanics Uploads

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(PP 6.7) Geometric intuition for the multivariate Gaussian (part 2)

How to visualize the effect of the eigenvalues (scaling), eigenvectors (rotation), and mean vector (shift) on the density of a multivariate Gaussian.

From playlist Probability Theory

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Chp9Pr41: Probability Density Functions

A continuous random variable can be described using a function called the probability density function. This video shows us how to prove that a function is a probability density function. This is Chapter 9 Problem 41 from the MATH1231/1241 algebra notes. Presented by Dr Diana Combe from th

From playlist Mathematics 1B (Algebra)

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Infinite-density versus large deviations theory for fat-tailed systems by Erez Aghion

Large deviation theory in statistical physics: Recent advances and future challenges DATE: 14 August 2017 to 13 October 2017 VENUE: Madhava Lecture Hall, ICTS, Bengaluru Large deviation theory made its way into statistical physics as a mathematical framework for studying equilibrium syst

From playlist Large deviation theory in statistical physics: Recent advances and future challenges

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(PP 6.6) Geometric intuition for the multivariate Gaussian (part 1)

How to visualize the effect of the eigenvalues (scaling), eigenvectors (rotation), and mean vector (shift) on the density of a multivariate Gaussian.

From playlist Probability Theory

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On the optimal control of a Kohn-Sham quantum model - A. Borzi - PRACQSYS 2018 - CEB T2 2018

Alfio Borzi (Institut für Mathematik, Universität Würzburg, Emil-Fischer-Strasse 30, Würzburg, Germany) / 05.07.2018 On the optimal control of a Kohn-Sham quantum model A Kohn-Sham (KS) model is a system of nonlinear coupled Schrödinger equations that describe multi-particle quantum syst

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

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An Introduction to Tensor Renormalization Group (Lecture 2) by Daisuke Kadoh

PROGRAM NONPERTURBATIVE AND NUMERICAL APPROACHES TO QUANTUM GRAVITY, STRING THEORY AND HOLOGRAPHY (HYBRID) ORGANIZERS: David Berenstein (University of California, Santa Barbara, USA), Simon Catterall (Syracuse University, USA), Masanori Hanada (University of Surrey, UK), Anosh Joseph (II

From playlist NUMSTRING 2022

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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

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Emmanuel Giner - Curing basis set convergence of WFT w/ DFT: overview of framework and some results

Recorded 03 May 2022. Emmanuel Giner of the Centre National de la Recherche Scientifique presents "Curing basis set convergence of WFT with DFT: overview of framework and some results" at IPAM's Large-Scale Certified Numerical Methods in Quantum Mechanics Workshop. Learn more online at: ht

From playlist 2022 Large-Scale Certified Numerical Methods in Quantum Mechanics

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Quantum Theory - the Born Interpretation: Oxford Mathematics 2nd Year Student Lecture

Here is the latest lecture in the series of undergraduate lectures that we are making available to give an insight in to life in Oxford Mathematics. This lecture from James Sparks is taken from his Second Year Quantum Theory course. So far in the course we've met the Schrodinger equation

From playlist Oxford Mathematics 2nd Year Student Lectures

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Fluctuations of current in non-stationary diffusive lattice gases by Baruch Meerson

PROGRAM URL : http://www.icts.res.in/program/NESP2015 DATES : Monday 26 Oct, 2015 - Friday 20 Nov, 2015 VENUE : Ramanujan Lecture Hall, ICTS Bangalore DESCRIPTION : This program will be organized as an advanced discussion workshop on some topical issues in nonequilibrium statstical phys

From playlist Non-equilibrium statistical physics

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Andreas Savin - Beyond density functional approximations by lessons from density functional theory

Recorded 13 April 2022. Andreas Savin of Sorbonne Université presents "Getting beyond density functional approximations by using lessons from density functional theory" at IPAM's Model Reduction in Quantum Mechanics Workshop. Abstract: Joint work with Jacek Karwowski, Yvon Maday, Etienne P

From playlist 2022 Model Reduction in Quantum Mechanics Workshop

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Collective and single particle correlations in a binary mixture : dependence by Shankar P Das

29 May 2017 to 02 June 2017 VENUE: Ramanujan Lecture Hall, ICTS Bangalore This program aims to bring together people working on classical and quantum systems with disorder and interactions. The extensive exploration, through experiments, simulations and model calculations, of growing cor

From playlist Correlation and Disorder in Classical and Quantum Systems

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Probability Density Functions

This calculus 2 video tutorial provides a basic introduction into probability density functions. It explains how to find the probability that a continuous random variable such as x in somewhere between two values by evaluating the definite integral from a to b. The probability is equival

From playlist New Calculus Video Playlist

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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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