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

Band Theory02:35

Band Theory

17.1K
When two or more atoms come together to form a molecule, their atomic orbitals combine and molecular orbitals of distinct energies result. In a solid, there are a large number of atoms, and therefore a large number of atomic orbitals that may be combined into molecular orbitals. These groups of molecular orbitals are so closely placed together to form continuous regions of energies, known as the bands.
The energy difference between these bands is known as the band gap.
Conductor, Semiconductor,...
17.1K
Molecular Orbital Theory I02:35

Molecular Orbital Theory I

47.1K
Overview of Molecular Orbital Theory
47.1K
Scientific Laws and Theories02:31

Scientific Laws and Theories

87.3K
Scientific Laws
87.3K
Attribution Theory00:56

Attribution Theory

13.7K
Behavior is a product of both the situation (e.g., cultural influences, social roles, and the presence of bystanders) and of the person (e.g., personality characteristics). Subfields of psychology tend to focus on one influence or behavior over others. Situationism is the view that our behavior and actions are determined by our immediate environment and surroundings. In contrast, dispositionism holds that our behavior is determined by internal factors (Heider, 1958).
13.7K
The Atomic Theory of Matter02:59

The Atomic Theory of Matter

127.0K
The earliest recorded discussion of the basic structure of matter comes from ancient Greek philosophers. Leucippus and Democritus argued that all matter was composed of small, finite particles that they called atomos, meaning “indivisible.” Later, Aristotle and others came to the conclusion that matter consisted of various combinations of the four “elements” — fire, earth, air, and water — and could be infinitely divided. Interestingly, these philosophers...
127.0K
Social Exchange Theory02:06

Social Exchange Theory

39.5K
We have discussed why we form relationships, what attracts us to others, and different types of love. But what determines whether we are satisfied with and stay in a relationship? One theory that provides an explanation is social exchange theory. According to social exchange theory, we act as naïve economists in keeping a tally of the ratio of costs and benefits of forming and maintaining a relationship with others (Rusbult & Van Lange, 2003).
39.5K

You might also read

Related Articles

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

Sort by
Same author

How to Use Quantum Computers for Biomolecular Free Energies.

Journal of chemical theory and computation·2026
Same author

Thermal and vibronic effects on the absorption spectra of II-VI quantum dots: Atomistic origins of the Urbach tail.

The Journal of chemical physics·2026
Same author

Band Alignment in Core-Shell Nanocrystals by Estimating Wave Function Tunneling Probabilities.

Nano letters·2025
Same author

Clifford Circuit-Based Heuristic Optimization of Fermion-To-Qubit Mappings.

Journal of chemical theory and computation·2025
Same author

The Embedded Density Matrix Renormalization Group: Size-Extensive and Quasi-Exact for Nonlinear Quantum Chemistry.

Journal of chemical theory and computation·2025
Same author

QuEmb: A Toolbox for Bootstrap Embedding Calculations of Molecular and Periodic Systems.

The journal of physical chemistry. A·2025

Related Experiment Video

Updated: Jan 21, 2026

Engineering Three-dimensional Epithelial Tissues Embedded within Extracellular Matrix
08:49

Engineering Three-dimensional Epithelial Tissues Embedded within Extracellular Matrix

Published on: July 10, 2016

8.0K

Using SCF metadynamics to extend density matrix embedding theory to excited states.

Henry K Tran1, Troy Van Voorhis1, Alex J W Thom2

  • 1Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA.

The Journal of Chemical Physics
|July 22, 2019
PubMed
Summary
This summary is machine-generated.

This study introduces an excited state Density Matrix Embedding Theory (DMET) framework for calculating electronic state energies. The new method, using Schmidt decomposition, shows promise for complex systems but faces implementation challenges.

More Related Videos

Microgel-Extracellular Matrix Composite Support for the Embedded 3D Printing of Human Neural Constructs
07:48

Microgel-Extracellular Matrix Composite Support for the Embedded 3D Printing of Human Neural Constructs

Published on: May 5, 2023

1.9K
Assessing Primary Motor Cortex Excitability and Excitability Modulation by Pairing Transcranial Magnetic Stimulation with Electromyography
12:13

Assessing Primary Motor Cortex Excitability and Excitability Modulation by Pairing Transcranial Magnetic Stimulation with Electromyography

Published on: October 7, 2025

632

Related Experiment Videos

Last Updated: Jan 21, 2026

Engineering Three-dimensional Epithelial Tissues Embedded within Extracellular Matrix
08:49

Engineering Three-dimensional Epithelial Tissues Embedded within Extracellular Matrix

Published on: July 10, 2016

8.0K
Microgel-Extracellular Matrix Composite Support for the Embedded 3D Printing of Human Neural Constructs
07:48

Microgel-Extracellular Matrix Composite Support for the Embedded 3D Printing of Human Neural Constructs

Published on: May 5, 2023

1.9K
Assessing Primary Motor Cortex Excitability and Excitability Modulation by Pairing Transcranial Magnetic Stimulation with Electromyography
12:13

Assessing Primary Motor Cortex Excitability and Excitability Modulation by Pairing Transcranial Magnetic Stimulation with Electromyography

Published on: October 7, 2025

632

Area of Science:

  • Quantum Chemistry
  • Computational Physics
  • Electronic Structure Theory

Background:

  • Density Matrix Embedding Theory (DMET) is effective for ground state energies in strongly correlated systems.
  • DMET has not been previously applied to calculating excited electronic states.
  • Accurate excited state calculations are crucial for understanding molecular and material properties.

Purpose of the Study:

  • To propose and implement a novel framework for directly targeting excited electronic states using DMET.
  • To adapt the DMET methodology for excited state energy calculations.
  • To assess the feasibility and identify challenges of the excited state DMET approach.

Main Methods:

  • Developed a new framework based on Density Matrix Embedding Theory (DMET).
  • Applied Schmidt decomposition directly to excited states, approximated by higher self-consistent field solutions.
  • Integrated the DMET prescription following Schmidt decomposition for direct excited state embedding.

Main Results:

  • Successfully implemented an excited state DMET framework.
  • Obtained initial results for multiple hydrogen dimers and lithium hydride dissociation.
  • Analyzed the components of the excited state DMET calculation and identified key challenges.

Conclusions:

  • The proposed excited state DMET framework is a novel approach for electronic structure calculations.
  • The study highlights challenges in the implementation of excited state DMET.
  • Recommendations for future development and overcoming identified challenges are provided.