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

Fermi Level Dynamics01:12

Fermi Level Dynamics

The vacuum level denotes the energy threshold required for an electron to escape from a material surface. It is usually positioned above the conduction band of a semiconductor and acts as a benchmark for comparing electron energies within various materials.
Electron affinity in semiconductors refers to the energy gap between the minimum of its conduction band and the vacuum level and it is a critical parameter in determining how easily a semiconductor can accept additional electrons.
The work...
Spin–Spin Coupling: One-Bond Coupling01:17

Spin–Spin Coupling: One-Bond Coupling

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,...
Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)01:20

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

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...
Spin–Spin Coupling Constant: Overview01:08

Spin–Spin Coupling Constant: Overview

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 have a...
Spin–Spin Coupling: Three-Bond Coupling (Vicinal Coupling)01:22

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

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 involved orbitals. The...
Hybridization of Atomic Orbitals II03:35

Hybridization of Atomic Orbitals II

sp3d and sp3d 2 Hybridization

You might also read

Related Articles

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

Sort by
Same author

[Double-mutated oncolytic adenovirus combined with gemcitabine for treating an orthotopic nude mouse model of bladder cancer].

Zhonghua zhong liu za zhi [Chinese journal of oncology]·2013
Same author

[Interaction effects of breastfeeding and passive smoking on asthma and asthma related symptoms among children].

Zhonghua yu fang yi xue za zhi [Chinese journal of preventive medicine]·2013
Same author

Adenoid cystic carcinoma in the bronchus behaves more aggressively than its tracheal counterpart.

The Annals of thoracic surgery·2013
Same author

Weighted SNP set analysis in genome-wide association study.

PloS one·2013
Same author

Effects of electro-acupuncture on personality traits in depression: a randomized controlled study.

Chinese journal of integrative medicine·2013
Same author

BTG1 expression correlates with the pathogenesis and progression of ovarian carcinomas.

International journal of molecular sciences·2013
Same journal

Revisiting crossed-correlated baths in open quantum systems simulated by HEOM or T-TEDOPA.

The Journal of chemical physics·2026
Same journal

Vesicle size and membrane composition control monomer transfer pathways in multicomponent lipid vesicles.

The Journal of chemical physics·2026
Same journal

Polaron-mediated exciton dynamics of P(NDI2OD-T2) unveiled by transient absorption spectroscopy under electrochemical conditions.

The Journal of chemical physics·2026
Same journal

Green-Kubo relation in a mesoscale odd fluid model.

The Journal of chemical physics·2026
Same journal

Nitrogenation of microscopic MoS2 surfaces by oxidation scanning probe lithography.

The Journal of chemical physics·2026
Same journal

Molecular structure, binding, and disorder in TDBC-Ag plexcitonic assemblies.

The Journal of chemical physics·2026
See all related articles

Related Experiment Video

Updated: May 10, 2026

Experimental Methods for Spin- and Angle-Resolved Photoemission Spectroscopy Combined with Polarization-Variable Laser
09:00

Experimental Methods for Spin- and Angle-Resolved Photoemission Spectroscopy Combined with Polarization-Variable Laser

Published on: June 28, 2018

A variational surface hopping algorithm for the sub-Ohmic spin-boson model.

Yao Yao1, Yang Zhao

  • 1Division of Materials Science, Nanyang Technological University, Singapore.

The Journal of Chemical Physics
|July 5, 2013
PubMed
Summary
This summary is machine-generated.

This study introduces an efficient surface hopping algorithm using the Davydov D1 ansatz for accurate spin dynamics simulation in sub-Ohmic spin-boson models. The method unifies coherent and incoherent dynamics, yielding hopping rates closer to the Marcus formula.

More Related Videos

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
13:58

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics

Published on: September 28, 2016

Related Experiment Videos

Last Updated: May 10, 2026

Experimental Methods for Spin- and Angle-Resolved Photoemission Spectroscopy Combined with Polarization-Variable Laser
09:00

Experimental Methods for Spin- and Angle-Resolved Photoemission Spectroscopy Combined with Polarization-Variable Laser

Published on: June 28, 2018

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
13:58

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics

Published on: September 28, 2016

Area of Science:

  • Quantum dynamics
  • Condensed matter physics
  • Computational chemistry

Background:

  • The spin-boson model is crucial for understanding quantum systems interacting with bosonic environments.
  • Accurate simulation of spin dynamics requires efficient and precise theoretical models.
  • Existing semiclassical methods may not fully capture the nuances of coherent and incoherent population evolution.

Purpose of the Study:

  • To develop and validate a novel surface hopping algorithm for simulating spin dynamics.
  • To employ the Davydov D1 ansatz for enhanced accuracy in time-dependent variational calculations.
  • To investigate spin dynamics in the presence of a sub-Ohmic bosonic bath.

Main Methods:

  • Development of a surface hopping algorithm incorporating the Davydov D1 ansatz.
  • Unified treatment of coherent and incoherent population dynamics.
  • Calculation of hopping rates and comparison with established theoretical formulas.

Main Results:

  • The Davydov D1 ansatz provides an accurate trial state for the sub-Ohmic spin-boson model.
  • The developed algorithm successfully simulates spin dynamics under a sub-Ohmic bosonic bath.
  • Calculated hopping rates demonstrate closer agreement with the Marcus formula compared to semiclassical approaches.

Conclusions:

  • The novel surface hopping algorithm offers an efficient and accurate method for studying spin dynamics.
  • The unified treatment of dynamics improves the simulation of quantum systems interacting with bosonic baths.
  • This approach enhances our understanding of electron transfer processes and related quantum phenomena.