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Forces That Govern Life: On the Way to Understanding Intermolecular Interactions
20 Jul 2017 | Online Presentations | Contributor(s): Lyudmila V. Slipchenko
This talk will overview our recent work on the Effective Fragment Potential (EFP) method. EFP is a model potential designed for describing non-covalent interactions. The absence of fitted...
Lecture 2: The Wigner Monte Carlo Method for Single-Body Quantum Systems
18 Nov 2014 | Online Presentations | Contributor(s): Jean Michel D Sellier
In this lecture, Dr. Sellier discusses the Wigner Monte Carlo method applied to single-body quantum systems.
Lecture 3: The Wigner Monte Carlo Method for Density Functional Theory
In this lecture, Dr. Sellier discusses the Wigner Monte Carlo method in the framework of density functional theory (DFT).
Lecture 4: The ab-initio Wigner Monte Carlo Method
In this lecture, Dr. Sellier discusses the ab-initio Wigner Monte Carlo method for the simulation of strongly correlated systems.
Lecture 5: Systems of Identical Fermions in the Wigner Formulation of Quantum Mechanics
In this lecture, Dr. Sellier discusses about systems of indistinguishable Fermions in the Wigner formulation of quantum mechanics.
Calculating Resonances Using a Complex Absorbing Potential
0.0 out of 5 stars
14 Mar 2008 | Online Presentations | Contributor(s): Robin Santra
The Siegert (or Gamow) wave function associated with a resonance state is exponentially divergent at large distances from the scattering target. A complex absorbing potential (CAP) provides a...
Dynamics on the Nanoscale: Time-domain ab initio studies of quantum dots, carbon nanotubes and molecule-semiconductor interfaces
01 Feb 2008 | Online Presentations | Contributor(s): Oleg Prezhdo
Device miniaturization requires an understanding of the dynamical response of materials on the nanometer scale. A great deal of experimental and theoretical work has been devoted to characterizing...
The basics of quantum Monte Carlo
4.5 out of 5 stars
18 Jun 2007 | Online Presentations | Contributor(s): Lucas Wagner, Jeffrey C Grossman, Jeffrey B. Neaton
Quantum Monte Carlo is a highly accurate method to approximately solve the Schrodinger equation. I explain quantum Monte Carlo in a way that should be accessible to someone who is somewhat...
Renormalization Group Theories of Strongly Interacting Electronic Structure
20 Apr 2007 | Online Presentations | Contributor(s): Garnet Chan, NCN SLC@Northwestern
Our work is in the area of the electronic structure and dynamics of complex processes. We engage in developing new and more powerful theoretical techniques which enable us to describe strong...
Quantum Chemistry Part I
15 Feb 2005 | Online Presentations | Contributor(s): Mark A. Ratner
This tutorial will provide an overview of electronic structure calculations from a
chemist's perspective. This will include a review of the basic electronic structure