Related Experiment Video

Updated: Jun 6, 2026

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

Application of second-order Møller-Plesset perturbation theory with resolution-of-identity approximation to periodic

Michio Katouda1, Shigeru Nagase

  • 1Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Okazaki 444-8585, Japan.

The Journal of Chemical Physics
|November 16, 2010
PubMed

More Related Videos

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids08:04

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

Published on: May 27, 2020

Related Concept Videos

Second Order systems II01:18

Second Order systems II

In an underdamped second-order system, where the damping ratio ζ is between 0 and 1, a unit-step input results in a transfer function that, when transformed using the inverse Laplace method, reveals the output response. The output exhibits a damped sinusoidal oscillation, and the difference between the input and output is termed the error signal. This error signal also demonstrates damped oscillatory behavior. Eventually, as the system reaches a steady state, the error diminishes to zero.
If  ζ...
Linear Approximation in Time Domain01:21

Linear Approximation in Time Domain

Nonlinear systems often require sophisticated approaches for accurate modeling and analysis, with state-space representation being particularly effective. This method is especially useful for systems where variables and parameters vary with time or operating conditions, such as in a simple pendulum or a translational mechanical system with nonlinear springs.
For a simple pendulum with a mass evenly distributed along its length and the center of mass located at half the pendulum's length, the...
Linear Approximation in Frequency Domain01:26

Linear Approximation in Frequency Domain

Linear systems are characterized by two main properties: superposition and homogeneity. Superposition allows the response to multiple inputs to be the sum of the responses to each individual input. Homogeneity ensures that scaling an input by a scalar results in the response being scaled by the same scalar.
In contrast, nonlinear systems do not inherently possess these properties. However, for small deviations around an operating point, a nonlinear system can often be approximated as linear.
Second-order Op Amp Circuits01:19

Second-order Op Amp Circuits

Implementing second-order low-pass filters in audio systems is crucial in refining audio signals by eliminating undesirable high-frequency noise. These filters typically involve second-order op-amp circuits configured as voltage followers, encompassing two nodes with distinct storage elements.
The analysis of such circuits follows a systematic approach, similar to the second-order RLC circuits. In practical scenarios, bulky inductors are rarely employed due to their size and weight. This means...
Second-Order Circuits01:17

Second-Order Circuits

Integrating two fundamental energy storage elements in electrical circuits results in second-order circuits, encompassing RLC circuits and circuits with dual capacitors or inductors (RC and RL circuits). Second-order circuits are identified by second-order differential equations that link input and output signals.
Input signals typically originate from voltage or current sources, with the output often representing voltage across the capacitor and/or current through the inductor. For example, in...
¹H NMR: Interpreting Distorted and Overlapping Signals01:02

¹H NMR: Interpreting Distorted and Overlapping Signals

Spin systems where the difference in chemical shifts of the coupled nuclei is greater than ten times J are called first-order spin systems. These nuclei are weakly coupled, and their chemical shifts and coupling constant can generally be estimated from the well-separated signals in the spectrum.
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are slanted or...