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

Spin–Spin Coupling Constant: Overview01:08

Spin–Spin Coupling Constant: Overview

899
In bromoethane, the three methyl protons are coupled to the two methylene protons that are three bonds away. In accordance with the n+1 rule, the signal from the methyl protons is split into three peaks with 1:2:1 relative intensities. The methylene protons appear as a quartet, with the relative intensities of 1:3:3:1.
Qualitatively, any spin plus-half nucleus polarizes the spins of its electrons to the minus-half state. Consequently, the paired electron in the hydrogen–carbon bond must...
899
Spin–Spin Coupling: One-Bond Coupling01:17

Spin–Spin Coupling: One-Bond Coupling

950
Coupling interactions are strongest between NMR-active nuclei bonded to each other, where spin information can be transmitted directly through the pair of bonding electrons. While nuclei polarize their electrons to the opposite spins, the bonding electron pair has opposite spins. Configurations with antiparallel nuclear spins are expected to be lower in energy. When coupling makes antiparallel states more favorable, J is considered to have a positive value. The one-bond coupling constant, 1J,...
950
Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)01:20

Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)

983
Two NMR-active nuclei bonded to a central atom can be involved in geminal or two-bond coupling. Geminal coupling is commonly seen between diastereotopic protons in chiral molecules and unsymmetrical alkenes, among others.
The central atom need not be NMR-active because its electrons are affected by the electron polarization of the spin-active atoms. However, spin information is transmitted less effectively than in one-bond coupling, and 2J values are usually weaker than 1J values. The energy of...
983
Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)01:22

Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)

1.0K
Vicinal or three-bond coupling is commonly observed between protons attached to adjacent carbons. Here, nuclear spin information is primarily transferred via electron spin interactions between adjacent C‑H bond orbitals. This generally favors the antiparallel arrangement of spins, so 3J values are usually positive.
The extent of coupling depends on the C‑C bond length, the two H‑C‑C angles, any electron-withdrawing substituents, and the dihedral angle between the...
1.0K
NMR Spectroscopy: Spin–Spin Coupling01:08

NMR Spectroscopy: Spin–Spin Coupling

1.3K
The spin state of an NMR-active nucleus can have a slight effect on its immediate electronic environment. This effect propagates through the intervening bonds and affects the electronic environments of NMR-active nuclei up to three bonds away; occasionally, even farther. This phenomenon is called spin–spin coupling or J-coupling. Coupling interactions are mutual and result in small changes in the absorption frequencies of both nuclei involved. While nuclei of the same element are involved...
1.3K
Atomic Nuclei: Nuclear Spin State Population Distribution01:14

Atomic Nuclei: Nuclear Spin State Population Distribution

962
Near absolute zero temperatures, in the presence of a magnetic field, the majority of nuclei prefer the lower energy spin-up state to the higher energy spin-down state. As temperatures increase, the energy from thermal collisions distributes the spins more equally between the two states. The Boltzmann distribution equation gives the ratio of the number of spins predicted in the spin −½ (N−) and spin +½ (N+) states.
962

You might also read

Related Articles

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

Sort by
Same author

Digital quantum magnetism on a trapped-ion quantum computer.

Nature·2026
Same author

Ab initio many-body quantum embedding and local correlation in crystalline materials using interpolative separable density fitting.

The Journal of chemical physics·2026
Same author

Toward accurate mixed quantum classical simulations of vibrational polaritonic chemistry.

The Journal of chemical physics·2026
Same author

Evaluating Multiconfigurational Trials for Accurate Phaseless Auxiliary-Field Quantum Monte Carlo on 3d Transition Metal Complexes.

Journal of chemical theory and computation·2026
Same author

Predictive free energy simulations through hierarchical distillation of quantum Hamiltonians.

Proceedings of the National Academy of Sciences of the United States of America·2026
Same author

Excited states in auxiliary field quantum Monte Carlo.

The Journal of chemical physics·2026

Related Experiment Video

Updated: Jun 13, 2025

Study of Protein Dynamics via Neutron Spin Echo Spectroscopy
08:03

Study of Protein Dynamics via Neutron Spin Echo Spectroscopy

Published on: April 13, 2022

2.1K

Correlation functions from tensor network influence functionals: The case of the spin-boson model.

Haimi Nguyen1, Nathan Ng1, Lachlan P Lindoy2

  • 1Department of Chemistry, Columbia University, New York, New York 10027, USA.

The Journal of Chemical Physics
|September 13, 2024
PubMed
Summary
This summary is machine-generated.

Matrix product states (MPS) offer a powerful way to calculate real-time correlation functions in open quantum systems. A steady-state formulation using influence functionals (IFs) provides an efficient method for these calculations.

More Related Videos

Author Spotlight: Unlocking New Insights in fNIRS Studies - A Novel Framework for Inter-Brain Synchrony Analysis
05:59

Author Spotlight: Unlocking New Insights in fNIRS Studies - A Novel Framework for Inter-Brain Synchrony Analysis

Published on: October 6, 2023

2.4K
Statistical Modelling of Cortical Connectivity Using Non-invasive Electroencephalograms
08:51

Statistical Modelling of Cortical Connectivity Using Non-invasive Electroencephalograms

Published on: November 1, 2019

5.6K

Related Experiment Videos

Last Updated: Jun 13, 2025

Study of Protein Dynamics via Neutron Spin Echo Spectroscopy
08:03

Study of Protein Dynamics via Neutron Spin Echo Spectroscopy

Published on: April 13, 2022

2.1K
Author Spotlight: Unlocking New Insights in fNIRS Studies - A Novel Framework for Inter-Brain Synchrony Analysis
05:59

Author Spotlight: Unlocking New Insights in fNIRS Studies - A Novel Framework for Inter-Brain Synchrony Analysis

Published on: October 6, 2023

2.4K
Statistical Modelling of Cortical Connectivity Using Non-invasive Electroencephalograms
08:51

Statistical Modelling of Cortical Connectivity Using Non-invasive Electroencephalograms

Published on: November 1, 2019

5.6K

Area of Science:

  • Quantum physics
  • Computational physics

Background:

  • Open quantum systems require advanced methods for calculating real-time dynamics.
  • Matrix product states (MPS) are effective for simulating quantum many-body systems.

Purpose of the Study:

  • To investigate the application of matrix product state (MPS) representations of influence functionals (IFs).
  • To calculate real-time equilibrium correlation functions in open quantum systems.

Main Methods:

  • Utilizing IF-MPS for complex time propagation.
  • Employing IF-MPS for constructing steady-state correlation functions.
  • Examining Kadanoff-Baym contour, complex contour, and steady-state IF formulations.

Main Results:

  • Demonstrated the efficacy of IF-MPS for simulating the spin-boson model.
  • Showcased the ability of IF-MPS to handle complex time propagation.
  • Validated the steady-state formulation for accessing all-time correlation functions.

Conclusions:

  • The steady-state formulation within the IF language is a powerful approach for evaluating equilibrium correlation functions.
  • IF-MPS provides a robust framework for studying dynamics in open quantum systems.