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

Graphing the Wave Function

Graphing the Wave Function

Consider the wave equation for a sinusoidal wave moving in the positive x-direction. The wave equation is a function of both position and time. From the wave equation, two different graphs can be plotted.

The Quantum-Mechanical Model of an Atom

The Quantum-Mechanical Model of an Atom

Shortly after de Broglie published his ideas that the electron in a hydrogen atom could be better thought of as being a circular standing wave instead of a particle moving in quantized circular orbits, Erwin Schrödinger extended de Broglie’s work by deriving what is now known as the Schrödinger equation. When Schrödinger applied his equation to hydrogen-like atoms, he was able to reproduce Bohr’s expression for the energy and, thus, the Rydberg formula governing hydrogen spectra. Schrödinger...

Molecular Orbital Theory I

Molecular Orbital Theory I

Overview of Molecular Orbital Theory

Extraction: Partition and Distribution Coefficients

Extraction: Partition and Distribution Coefficients

The distribution law or Nernst's distribution law is the law that governs the distribution of a solute between two immiscible solvents. This law, also known as the partition law, states that if a solute is added to the mixture of two immiscible solvents at a constant temperature, the solute is distributed between the two solvents in such a way that the ratio of solute concentrations in the solvents remains constant at equilibrium.
For extracting a solute from an aqueous phase into an organic...

The de Broglie Wavelength

The de Broglie Wavelength

In the macroscopic world, objects that are large enough to be seen by the naked eye follow the rules of classical physics. A billiard ball moving on a table will behave like a particle; it will continue traveling in a straight line unless it collides with another ball, or it is acted on by some other force, such as friction. The ball has a well-defined position and velocity or well-defined momentum, p = mv, which is defined by mass m and velocity v at any given moment. This is the typical...

Traveling Waves: Lossless Lines

Traveling Waves: Lossless Lines

The provided content explores the behavior of traveling waves on single-phase lossless transmission lines. It begins with a single-phase two-wire lossless transmission line of length Δx, characterized by a loop inductance LH/m and a line-to-line capacitance C F/m. These parameters result in a series inductance LΔx and a shunt capacitance CΔx.

You might also read

Related Articles

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

Sort by

Same author

Design of a Wobble-Scheme Heterojunction for Catalytic Cancer Therapy.

Small (Weinheim an der Bergstrasse, Germany)·2026

Same author

Theoretical Insights into Potential Interstellar Molecules: Protonated Acrolein and Methylketene.

The journal of physical chemistry. A·2026

Same author

Giant Infrared Resonances of Cyclocarbon Cations.

The journal of physical chemistry letters·2025

Same author

Enhanced-Type Quantitative Luminescence Recognition for Per- and Polyfluoroalkyl Substances (PFAS) by a Metal-Organic Framework Single Crystal.

Angewandte Chemie (International ed. in English)·2025

Same author

Effect of Fluorine Substitution on Magnetizabilities: Insights from Density Functional Theory and Benchmark Coupled-Cluster Calculations.

The journal of physical chemistry. A·2024

Same author

Quantum chemical investigation of electronic transitions of mitorubrin azaphilones.

Journal of computational chemistry·2024

Search research articles

Related Experiment Video

Updated: May 8, 2026

Generation and Coherent Control of Pulsed Quantum Frequency Combs

Generation and Coherent Control of Pulsed Quantum Frequency Combs

Published on: June 8, 2018

Lossless compression of wave function information using matrix factorization: A "gzip" for quantum chemistry.

Peter R Taylor¹

¹Victorian Life Sciences Computation Initiative and School of Chemistry, University of Melbourne, Victoria 3010, Australia. prtaylor@unimelb.edu.au

The Journal of Chemical Physics

|August 24, 2013

Summary

Singular value decomposition significantly compresses wave function data for quantum chemistry calculations. This method reduces storage needs without sacrificing accuracy in full configuration interaction and other methods.

More Related Videos

Lens-free Video Microscopy for the Dynamic and Quantitative Analysis of Adherent Cell Culture

Lens-free Video Microscopy for the Dynamic and Quantitative Analysis of Adherent Cell Culture

Published on: February 23, 2018

Related Experiment Videos

Last Updated: May 8, 2026

Generation and Coherent Control of Pulsed Quantum Frequency Combs

Generation and Coherent Control of Pulsed Quantum Frequency Combs

Published on: June 8, 2018

Lens-free Video Microscopy for the Dynamic and Quantitative Analysis of Adherent Cell Culture

Lens-free Video Microscopy for the Dynamic and Quantitative Analysis of Adherent Cell Culture

Published on: February 23, 2018

Area of Science:

Quantum Chemistry
Computational Physics

Background:

Storing large wave function data is a computational bottleneck.
Existing methods involve approximations to reduce data size.

Purpose of the Study:

To introduce singular value decomposition (SVD) for wave function data compression.
To reformulate approximate methods without approximations using SVD.

Main Methods:

Application of singular value decomposition (SVD).
Analysis of determinantal full configuration interaction (FCI).
Extension to truncated configuration interaction (CI) and coupled-cluster (CC) methods.

Main Results:

SVD enables significant compression of wave function information.
Numerical examples confirm minimal accuracy loss.
Redundancy in full CI wave functions is quantified.

Conclusions:

SVD offers an accurate and efficient method for wave function data reduction.
This approach provides a non-approximate reformulation of existing compression techniques.
The method is broadly applicable across various quantum chemistry computational schemes.