Jove
Visualize
Contact Us

Related Concept Videos

One-Compartment Open Model: Wagner-Nelson and Loo Riegelman Method for ka Estimation01:24

One-Compartment Open Model: Wagner-Nelson and Loo Riegelman Method for ka Estimation

1.0K
This lesson introduces two critical methods in pharmacokinetics, the Wagner-Nelson and Loo-Riegelman methods, used for estimating the absorption rate constant (ka) for drugs administered via non-intravenous routes. The Wagner-Nelson method relates ka to the plasma concentration derived from the slope of a semilog percent unabsorbed time plot. However, it is limited to drugs with one-compartment kinetics and can be impacted by factors like gastrointestinal motility or enzymatic degradation.
On...
1.0K
Equations of Wave Motion01:02

Equations of Wave Motion

8.1K
Mathematically, the motion of a wave can be studied using a wavefunction. Consider a string oscillating up and down in simple harmonic motion, having a period T. The wave on the string is sinusoidal and is translated in the positive x-direction as time progresses. Sine is a function of the angle θ, oscillating between +A and −A and repeating every 2π radians. To construct a wave model, the ratio of the angle θ and the position x is considered.
8.1K
Wave Parameters01:10

Wave Parameters

8.9K
The simplest mechanical waves are associated with simple harmonic motion and repeat themselves for several cycles. These simple harmonic waves can be modeled using a combination of sine and cosine functions. Consider a simplified surface water wave that moves across the water's surface. Unlike complex ocean waves, in surface water waves, water moves vertically, oscillating up and down, whereas the disturbance of the wave moves horizontally through the medium. If a seagull is floating on the...
8.9K
Linear Approximation in Time Domain01:21

Linear Approximation in Time Domain

267
Nonlinear systems often require sophisticated approaches for accurate modeling and analysis, with state-space representation being particularly effective. This method is especially useful for systems where variables and parameters vary with time or operating conditions, such as in a simple pendulum or a translational mechanical system with nonlinear springs.
For a simple pendulum with a mass evenly distributed along its length and the center of mass located at half the pendulum's length,...
267
Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving01:29

Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving

223
Mechanistic models play a crucial role in algorithms for numerical problem-solving, particularly in nonlinear mixed effects modeling (NMEM). These models aim to minimize specific objective functions by evaluating various parameter estimates, leading to the development of systematic algorithms. In some cases, linearization techniques approximate the model using linear equations.
In individual population analyses, different algorithms are employed, such as Cauchy's method, which uses a...
223
Kinetic and Potential Energy of a Wave01:10

Kinetic and Potential Energy of a Wave

6.0K
All forms of waves carry energy; this is directly visualized in nature. For instance, the waves of earthquakes are so intense that they can shake huge concrete buildings, causing them to fall. Loud sounds can damage nerve cells in the inner ear, causing permanent hearing loss. The waves of the oceans can erode beaches. 
In mechanical waves, the amount of energy is related to their amplitude and frequency. In the context of the above examples, large-amplitude earthquakes produce large...
6.0K

You might also read

Related Articles

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

Sort by
Same author

Development of a general time-dependent absorbing potential for the constrained adiabatic trajectory method.

The Journal of chemical physics·2011
Same author

Iterative eigenvalue method using the Bloch wave operator formalism with Padé approximants and absorbing boundaries.

Physical review. E, Statistical, nonlinear, and soft matter physics·2004
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
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 Experiment Video

Updated: Dec 20, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

8.8K

Calculating eigenvalues and eigenvectors of parameter-dependent Hamiltonians using an adaptative wave operator

Arnaud Leclerc1, Georges Jolicard2

  • 1Université de Lorraine, CNRS, LPCT, F-57000 Metz, France.

The Journal of Chemical Physics
|June 4, 2020
PubMed
Summary
This summary is machine-generated.

We introduce a novel wave operator method for calculating eigenvalues and eigenvectors of large parameter-dependent matrices. This adaptive approach efficiently handles complex systems, including non-Hermitian Hamiltonians, offering competitive convergence and constant memory cost.

More Related Videos

Cortical Bone Assessment Using Ultrasonic Guided Waves: A Reproducibility Study in a Healthy Population
09:02

Cortical Bone Assessment Using Ultrasonic Guided Waves: A Reproducibility Study in a Healthy Population

Published on: January 31, 2025

1.3K
Design and Application of a Fault Detection Method Based on Adaptive Filters and Rotational Speed Estimation for an Electro-Hydrostatic Actuator
06:45

Design and Application of a Fault Detection Method Based on Adaptive Filters and Rotational Speed Estimation for an Electro-Hydrostatic Actuator

Published on: October 28, 2022

2.0K

Related Experiment Videos

Last Updated: Dec 20, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

8.8K
Cortical Bone Assessment Using Ultrasonic Guided Waves: A Reproducibility Study in a Healthy Population
09:02

Cortical Bone Assessment Using Ultrasonic Guided Waves: A Reproducibility Study in a Healthy Population

Published on: January 31, 2025

1.3K
Design and Application of a Fault Detection Method Based on Adaptive Filters and Rotational Speed Estimation for an Electro-Hydrostatic Actuator
06:45

Design and Application of a Fault Detection Method Based on Adaptive Filters and Rotational Speed Estimation for an Electro-Hydrostatic Actuator

Published on: October 28, 2022

2.0K

Area of Science:

  • Quantum mechanics
  • Computational chemistry
  • Theoretical physics

Background:

  • Calculating eigenvalues and eigenvectors of large parameter-dependent matrices is computationally intensive.
  • Existing methods may struggle with non-Hermitian Hamiltonians or require significant memory.
  • Adaptive techniques are needed to improve efficiency and accuracy.

Purpose of the Study:

  • To develop a new wave operator method for parameter-dependent matrices.
  • To incorporate adaptive active subspaces and projectors for improved efficiency.
  • To handle both Hermitian and non-Hermitian Hamiltonians.

Main Methods:

  • A wave operator method utilizing an adaptive active subspace.
  • Adaptive projectors that dynamically adjust to changing parameters.
  • An iterative algorithm compared against standard wave operator and block-Davidson methods.

Main Results:

  • The proposed method demonstrates competitive performance, converging in a few dozen iterations.
  • Constant memory cost is maintained throughout the calculations.
  • Successful application to a 4D-coupled oscillator model and molecular photodissociation of H2+.

Conclusions:

  • The adaptive wave operator method provides an efficient and accurate approach for large parameter-dependent matrices.
  • The technique is versatile, applicable to both Hermitian and non-Hermitian systems.
  • It offers a promising alternative for complex quantum mechanical calculations, particularly in molecular physics.