Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

¹H NMR: Interpreting Distorted and Overlapping Signals01:02

¹H NMR: Interpreting Distorted and Overlapping Signals

1.1K
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...
1.1K
UV–Vis Spectroscopy: Molecular Electronic Transitions01:16

UV–Vis Spectroscopy: Molecular Electronic Transitions

1.6K
In Ultraviolet–Visible (UV–Vis) spectroscopy, the absorption of electromagnetic radiation is used to probe the electronic structure of molecules. This technique provides insights into molecular electronic transitions, particularly the movement of electrons between different molecular orbitals. Radiation is absorbed if the energy of the electromagnetic radiation passing through the molecule is precisely equal to the energy difference between the excited and ground states. During this...
1.6K
Atomic Emission Spectroscopy: Interference01:30

Atomic Emission Spectroscopy: Interference

238
In atomic emission spectroscopy (AES), high-temperature atomizers excite a broad range of elements and molecules that generate complex emissions from sources such as oxides, hydroxides, and flame combustion products in the flame or plasma. Several strategies can be employed to minimize spectral interferences caused by overlapping emission lines or bands. These include increasing instrument resolution, choosing alternative emission lines, optimally placing the detector in low-background regions,...
238
Interaction of EM Radiation with Matter: Spectroscopy01:12

Interaction of EM Radiation with Matter: Spectroscopy

1.8K
Electromagnetic (EM) radiation can be considered an oscillating electric and magnetic field propagating through a medium that can interact with matter in its path. The electric field in the radiation can interact with electrical charges in the atoms or molecules in the matter. On the other hand, the magnetic field can interact with the magnetic field in the atomic nucleus. The study of the interaction between electromagnetic radiation and matter is termed spectroscopy. Spectroscopy is the study...
1.8K
Atomic Absorption Spectroscopy: Interference01:25

Atomic Absorption Spectroscopy: Interference

876
Interference leads to systematic error in atomic absorption (AA) measurements by enhancing or diminishing the analytical signal or the background. These interferences can be grouped into three main categories: spectral interference, chemical interference, and physical interference.
Spectral interference occurs when signals from other elements or molecules overlap with the analyte signal, falsely elevating or masking the analyte's absorbance. This interference can be corrected using Zeeman,...
876
UV–Vis Spectroscopy of Conjugated Systems01:32

UV–Vis Spectroscopy of Conjugated Systems

7.1K
Organic compounds with conjugated double bonds show strong absorption features in the UV–visible region of the electromagnetic spectrum attributed to π → π* electronic excitations. Generally, a UV–vis absorption spectrum is recorded as a plot of absorbance vs wavelength. The wavelength of maximum absorbance, which manifests as a peak in the absorption spectrum, is denoted as λmax.
One of the factors influencing λmax is the extent...
7.1K

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Structural Engineering of Cyanine Dyes to Access Shortwave Infrared-Emissive J-Aggregates.

Journal of the American Chemical Society·2026
Same author

Environment-Induced Exciton Renormalization in the Photosystem II Reaction Center.

Journal of chemical theory and computation·2026
Same author

Stochastic<i>GW</i>-GPU: Rapid Quasi-Particle Energies for Molecules beyond 10,000 Atoms.

Journal of chemical theory and computation·2026
Same author

Phase Space Electronic Structure Theory: From Diatomic Lambda-Doubling to Macroscopic Einstein-de Haas.

The journal of physical chemistry letters·2026
Same author

Erratum: "A basis-free phase space electronic Hamiltonian that recovers beyond Born-Oppenheimer electronic momentum and current density" [J. Chem. Phys. 162, 144111 (2025)].

The Journal of chemical physics·2025
Same author

Conical Intersections and Electronic Momentum as Viewed from Phase Space Electronic Structure Theory.

The journal of physical chemistry letters·2025

Related Experiment Video

Updated: Aug 1, 2025

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

8.5K

Optimized attenuated interaction: Enabling stochastic Bethe-Salpeter spectra for large systems.

Nadine C Bradbury1, Tucker Allen1, Minh Nguyen1

  • 1Department of Chemistry and Biochemistry, UCLA, Los Angeles, California 90095-1569, USA.

The Journal of Chemical Physics
|April 24, 2023
PubMed
Summary
This summary is machine-generated.

We present a new stochastic method for the Bethe-Salpeter equation (BSE), improving computational efficiency. This approach significantly reduces the number of samples needed, making accurate spectral calculations feasible for larger systems.

More Related Videos

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

8.3K
Author Spotlight: Exploring Light-Driven Chemical Reactions and Energy-Harnessing Devices in Photochemical Research
08:12

Author Spotlight: Exploring Light-Driven Chemical Reactions and Energy-Harnessing Devices in Photochemical Research

Published on: February 16, 2024

10.2K

Related Experiment Videos

Last Updated: Aug 1, 2025

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

8.5K
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

8.3K
Author Spotlight: Exploring Light-Driven Chemical Reactions and Energy-Harnessing Devices in Photochemical Research
08:12

Author Spotlight: Exploring Light-Driven Chemical Reactions and Energy-Harnessing Devices in Photochemical Research

Published on: February 16, 2024

10.2K

Area of Science:

  • Computational Physics
  • Quantum Chemistry

Background:

  • The Bethe-Salpeter equation (BSE) is crucial for describing excited-state properties in quantum mechanics.
  • Accurate solutions of the BSE often require significant computational resources, limiting system size and complexity.

Purpose of the Study:

  • To develop a more computationally efficient stochastic formalism for solving the Bethe-Salpeter equation.
  • To reduce the scaling of computational cost with system size in BSE calculations.

Main Methods:

  • An exact separation of the effective interaction W into two parts: (W - vW) and vW.
  • Stochastic sampling of the difference (W - vW) within the main Bethe-Salpeter equation routine.
  • Optimization of the exchange kernel vW to minimize the difference term.

Main Results:

  • The number of stochastic samples required for accurate spectral calculations becomes largely independent of system size.
  • The computational scaling, while formally cubic, benefits from a small prefactor due to a constant number of stochastic orbitals.

Conclusions:

  • The proposed stochastic formalism offers a significant improvement in the computational efficiency of Bethe-Salpeter equation calculations.
  • This method enables more accurate spectral property predictions for larger and more complex quantum systems.