Related Experiment Video

Updated: Feb 10, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

9.0K

Combining active-space coupled-cluster methods with moment energy corrections via the CC(P;Q) methodology, with

Jun Shen1, Piotr Piecuch

  • 1Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, USA.

The Journal of Chemical Physics
|April 17, 2012
PubMed

More Related Videos

A Coupled Experiment-finite Element Modeling Methodology for Assessing High Strain Rate Mechanical Response of Soft Biomaterials11:28

A Coupled Experiment-finite Element Modeling Methodology for Assessing High Strain Rate Mechanical Response of Soft Biomaterials

Published on: May 18, 2015

13.0K
Spatial Separation of Molecular Conformers and Clusters10:37

Spatial Separation of Molecular Conformers and Clusters

Published on: January 9, 2014

11.8K

Related Concept Videos

Calculating Standard Free Energy Changes02:49

Calculating Standard Free Energy Changes

The free energy change for a reaction that occurs under the standard conditions of 1 bar pressure and at 298 K is called the standard free energy change. Since free energy is a state function, its value depends only on the conditions of the initial and final states of the system. A convenient and common approach to the calculation of free energy changes for physical and chemical reactions is by use of widely available compilations of standard state thermodynamic data. One method involves the...
25.7K
Activation Energy01:26

Activation Energy

Activation energy is the minimum amount of energy necessary for a chemical reaction to move forward. The higher the activation energy, the slower the rate of the reaction. However, adding heat to the reaction will increase the rate, since it causes molecules to move faster and increase the likelihood that molecules will collide. The collision and breaking of bonds represents the uphill phase of a reaction and generates the transition state. The transition state is an unstable high-energy state...
87.0K
Moment of Inertia: Calculations01:09

Moment of Inertia: Calculations

The moment of inertia of an object depends on its axis of rotation. Consider a barbell consisting of two masses attached to the ends of a rod. The masses at the end can be considered point masses, and the rod can be assumed to have negligible weight. The moment of inertia of the barbell can be calculated using the mathematical definition of the moment of inertia once the system's rotation axis is decided. Suppose the point masses m are fixed at a distance R from the center of the rod,...
8.2K
Work of a Couple Moment01:12

Work of a Couple Moment

Mechanical engineering involves the study of motion, energy, and force, and is concerned with designing, manufacturing, and maintaining mechanical systems. One important concept in this field is the couple moment, produced by two equal and opposite forces acting at two points in a rigid body separated by a certain distance.
When the rigid body undergoes a differential displacement due to a couple, its motion can be divided into two parts: equal translation of the two points to their final...
1.1K
Moment of a Couple: Problem Solving01:30

Moment of a Couple: Problem Solving

The moment of couple is an essential concept in physics and engineering, used to calculate the rotational force, or torque, that is created when a couple —two equal and opposite forces—acts on an object.
The moment of a couple is found by multiplying the magnitude of one of the forces by the perpendicular distance between the line of action of the two forces. This creates a twisting force, which can be used to rotate an object. The moment of a couple is used to solve problems...
1.8K
Energy Diagrams, Transition States, and Intermediates02:13

Energy Diagrams, Transition States, and Intermediates

Free-energy diagrams, or reaction coordinate diagrams, are graphs showing the energy changes that occur during a chemical reaction. The reaction coordinate represented on the horizontal axis shows how far the reaction has progressed structurally. Positions along the x-axis close to the reactants have structures resembling the reactants, while positions close to the products resemble the products.  Peaks on the energy diagram represent stable structures with measurable lifetimes, while...
21.0K