Related Experiment Video
Updated: Jun 24, 2026

Analyzing the Size, Shape, and Directionality of Networks of Coupled Astrocytes
Published on: October 4, 2018
Analytical representation of the Becke-Roussel exchange functional
Emil Proynov1, Zhenting Gan, Jing Kong
1Q-Chem Inc., The Design Center, Suite 690, 5001 Baum Boulevard, Pittsburgh, PA 15213, USA.
Abstract:
The unique meta-GGA (generalized gradient approximation) exchange functional of Becke and Roussel (BR89) and the correlation functional of Becke related to it (B94) are represented for the first time in an analytical form. All functional derivatives are then obtained analytically, which allows an efficient self-consistent implementation. A brief assessment of this "BR89B94" meta-GGA scheme is made considering molecular atomization energies and equilibrium geometries, with the latter being reported for the first time. The hybrid version of it yields one of the most accurate atomization energies to date, but its bond distances are less satisfactory. Some interesting features of the BR exchange hole are discussed.
More Related Videos
11:09RBDT: A Computerized Task System based in Transposition for the Continuous Analysis of Relational Behavior Dynamics in Humans
Published on: July 17, 2021
10:51Fabrication and Validation of an Organ-on-chip System with Integrated Electrodes to Directly Quantify Transendothelial Electrical Resistance
Published on: September 26, 2017
Related Concept Videos
One-Compartment Open Model: Wagner-Nelson and Loo Riegelman Method for ka Estimation
On...
Interpretations of Partial Derivatives
Two-Compartment Open Model: Overview
The...
Fundamental Mathematical Principles in Pharmacokinetics: Calculus and Graphs
On the other hand, integral calculus focuses on...
Two-Compartment Open Model: Extravascular Administration
The absorption exponent (ka) indicates the speed at which the drug is...
Mechanistic Models: Overview of Compartment Models