Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Related Concept Videos

Atomic Nuclei: Nuclear Spin State Overview

Atomic Nuclei: Nuclear Spin State Overview

NMR-active nuclei have energy levels called 'spin states' that are associated with the orientations of their nuclear magnetic moments. In the absence of a magnetic field, the nuclear magnetic moments are randomly oriented, and the spin states are degenerate. When an external magnetic field is applied, the spin states have only 2 + 1 orientations available to them. A proton with = ½ has two available orientations. Similarly, for a quadrupolar nucleus with a nuclear spin value of one, the...

Crystal Field Theory - Tetrahedral and Square Planar Complexes

Crystal Field Theory - Tetrahedral and Square Planar Complexes

Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...

Reduced Mass Coordinates: Isolated Two-body Problem

Reduced Mass Coordinates: Isolated Two-body Problem

In classical mechanics, the two-body problem is one of the fundamental problems describing the motion of two interacting bodies under gravity or any other central force. When considering the motion of two bodies, one of the most important concepts is the reduced mass coordinates, a quantity that allows the two-body problem to be solved like a single-body problem. In these circumstances, it is assumed that a single body with reduced mass revolves around another body fixed in a position with an...

Quantum Numbers

Quantum Numbers

It is said that the energy of an electron in an atom is quantized; that is, it can be equal only to certain specific values and can jump from one energy level to another but not transition smoothly or stay between these levels.

The Pauli Exclusion Principle

The Pauli Exclusion Principle

The arrangement of electrons in the orbitals of an atom is called its electron configuration. We describe an electron configuration with a symbol that contains three pieces of information:

Valence Bond Theory

Valence Bond Theory

Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...

You might also read

Related Articles

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

Sort by

Same author

Mode-Selective Dual-Level Vibrational Perturbation Theory Assisted by Machine Learning for Rotational and Vibrational Spectra of Benzoic Acid and Aspirin.

The journal of physical chemistry. A·2026

Same author

Castrate-resistant prostate cancer response to taxane is determined by an HNF1-dependent apoptosis resistance circuit.

Cell reports. Medicine·2024

Same author

Identification of key biomarkers of endothelial dysfunction in hypertension with carotid atherosclerosis based on WGCNA and the LASSO algorithm.

Heliyon·2024

Same author

Advances in the immunoescape mechanisms exploited by alphaherpesviruses.

Frontiers in microbiology·2024

Same author

Established the prediction model of early-stage non-small cell lung cancer spread through air spaces (STAS) by radiomics and genomics features.

Asia-Pacific journal of clinical oncology·2024

Same author

Enhanced rotation sensing with high-order exceptional points in a multi-mode coupled-ring gyroscope.

Optics letters·2024

Search research articles

Related Experiment Video

Updated: Jun 22, 2026

Scalable Quantum Integrated Circuits on Superconducting Two-Dimensional Electron Gas Platform

Scalable Quantum Integrated Circuits on Superconducting Two-Dimensional Electron Gas Platform

Published on: August 2, 2019

Reduced-dimensional quantum approach to tunneling splittings using saddle-point normal coordinates.

Eugene Kamarchik¹, Yimin Wang, Joel Bowman

¹Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322, USA.

The Journal of Physical Chemistry. A

|June 26, 2009

Summary

This study extends a 1D tunneling approach to multiple dimensions for calculating tunneling splittings. These multidimensional methods accurately predict tunneling phenomena in molecules like hydronium and ammonia.

More Related Videos

Detection and Quantification of Tunneling Nanotubes Using 3D Volume View Images

Detection and Quantification of Tunneling Nanotubes Using 3D Volume View Images

Published on: August 31, 2022

Related Experiment Videos

Last Updated: Jun 22, 2026

Scalable Quantum Integrated Circuits on Superconducting Two-Dimensional Electron Gas Platform

Scalable Quantum Integrated Circuits on Superconducting Two-Dimensional Electron Gas Platform

Published on: August 2, 2019

Detection and Quantification of Tunneling Nanotubes Using 3D Volume View Images

Detection and Quantification of Tunneling Nanotubes Using 3D Volume View Images

Published on: August 31, 2022

Area of Science:

Quantum Chemistry
Theoretical Chemistry
Chemical Physics

Background:

Tunneling splittings are crucial for understanding molecular dynamics and reaction rates.
Previous one-dimensional methods have limitations in accurately describing complex molecular systems.
Saddle point theory and relaxed potentials are key concepts in tunneling calculations.

Purpose of the Study:

To develop and test multidimensional extensions of a one-dimensional tunneling splitting approach.
To improve the accuracy of tunneling calculations for molecular systems.
To validate the new method using well-characterized molecules and a new potential energy surface.

Main Methods:

Extension of a 1D tunneling approach to multidimensional calculations.
Utilizing a relaxed potential in the imaginary-frequency normal mode of the saddle point.
Application to H(3)O(+), NH(3), and the vinyl radical.

Main Results:

Successful implementation of multidimensional extensions to the 1D tunneling approach.
Accurate prediction of tunneling splittings for H(3)O(+) and NH(3).
Application to the vinyl radical using a novel full-dimensional potential energy surface.

Conclusions:

The multidimensional extensions provide a more accurate and robust method for calculating tunneling splittings.
The approach is applicable to various molecular systems, including those with complex potential energy surfaces.
This work advances the theoretical understanding and computational prediction of quantum tunneling effects in chemistry.