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

NMR Spectrometers: Resolution and Error Correction01:14

NMR Spectrometers: Resolution and Error Correction

679
When magnetic nuclei in a sample achieve resonance and undergo relaxation, the signal detected in NMR is an approximately exponential free induction decay. Fourier transform of an exponential decay yields a Lorentzian peak in the frequency domain. Lorentzian peaks in an NMR spectrum are defined by their amplitude, full width at half maximum, and position, where the peak width is governed by the spin-spin relaxation time alone. In real experiments, however, the applied magnetic field is rendered...
679
Equivalent Capacitance01:19

Equivalent Capacitance

1.4K
Multiple capacitors can be connected in a circuit in series or parallel configuration. When the capacitor combination is connected to a battery, the potential drop across each capacitor and the magnitude of charge stored in the individual capacitor depends on the type of the connection. The capacitor combination is replaced by a single equivalent capacitor that stores the same amount of charge as the combination for a given potential difference.
The following strategies are adopted to calculate...
1.4K
Potentiometer01:30

Potentiometer

607
Voltage and current measurements using a standard voltmeter and ammeter alter the circuit being measured either by drawing or resisting the current flow, which introduces uncertainties in the measurements. Null measurements balance the voltages so that no current flows through the measuring device and, therefore, no alterations occur in the measured circuit.
Suppose the emf of a battery needs to be measured. If the battery is directly connected to a standard voltmeter, the measured quantity is...
607
Parseval's Theorem01:18

Parseval's Theorem

472
Parseval's theorem is a fundamental concept in signal processing and harmonic analysis. It asserts that for a periodic function, the average power of the signal over one period equals the sum of the squared magnitudes of all its complex Fourier coefficients. This theorem, named after Marc-Antoine Parseval, provides a powerful tool for analyzing the energy distribution in signals.
Interestingly, Parseval's theorem also holds for the trigonometric form of the Fourier series, which...
472
Interpreting ¹H NMR Signal Splitting: The (n + 1) Rule01:10

Interpreting ¹H NMR Signal Splitting: The (n + 1) Rule

1.2K
In the AX proton spin system, proton A can sense the two spin states of a coupled proton X, resulting in a doublet NMR signal with two peaks of equal (1:1) intensity. When proton A is coupled to two equivalent protons (AX2 spin system), the spin states of each X can be aligned with or against the external field, creating three possible scenarios. This results in a 1:2:1  triplet signal, where the central peak corresponds to the chemical shift of A and is twice as large or intense as the...
1.2K
Superposition Theorem01:18

Superposition Theorem

569
The superposition principle is a fundamental concept stating that in a linear circuit, the voltage across (or current through) an element can be determined by summing the individual contributions of each independent source acting in isolation. When dealing with linear circuits containing multiple independent sources, this principle serves as a valuable tool for analysis. To apply the superposition principle effectively, one should focus on a single independent source at a time while...
569

You might also read

Related Articles

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

Sort by
Same author

Development of Local Natural Orbital Arbitrary Order Coupled Cluster Methods and Assessment through Connected Quadruples.

The journal of physical chemistry. A¡2026
Same author

Coupling between Thermochemical Contributions of Subvalence Correlation and of Higher-Order Post-CCSD(T) Correlation Effects─A Step toward "W5 Theory".

The journal of physical chemistry. A¡2026
Same author

Exploiting a Shortcoming of Coupled-Cluster Theory: The Extent of Non-Hermiticity as a Diagnostic Indicator of Computational Accuracy.

The journal of physical chemistry letters¡2025
Same author

Another Angle on Benchmarking Noncovalent Interactions.

Journal of chemical theory and computation¡2025
Same author

Does Basis Set Superposition Error Significantly Affect Post-CCSD(T) Corrections?

Journal of computational chemistry¡2024
Same author

Exploring the influence of (<i>n</i> - 1)d subvalence correlation and of spin-orbit coupling on chalcogen bonding.

Physical chemistry chemical physics : PCCP¡2024
Same journal

Kinetic and Mechanistic Insights into H-Abstraction and Subsequent Isomerization and Decomposition of Monoglyme and Key Combustion Intermediates.

The journal of physical chemistry. A¡2026
Same journal

First-Principles Analysis of Protonation-Induced Electronic Effects in Tetrakis(<i>p</i>-aminophenyl)porphyrin (TAPP).

The journal of physical chemistry. A¡2026
Same journal

Exploring the Reactivity of the CH Radical toward Nitrous Oxide in the Context of the Interstellar Medium.

The journal of physical chemistry. A¡2026
Same journal

Infrared Photodissociation Spectroscopy of Benzene-V<sup>+</sup>(CO)<sub>n</sub> "Piano Stool" Cations.

The journal of physical chemistry. A¡2026
Same journal

Correction to "Solvent-Dependent Ultrafast Photochemical Dynamics of <i>N</i>-Methyl Oxindole Overcrowded Alkene Molecular Motors".

The journal of physical chemistry. A¡2026
Same journal

Accelerating the Discovery of Superhalogens via Physics-Informed Graph Neural Networks.

The journal of physical chemistry. A¡2026
See all related articles

Related Experiment Video

Updated: Jun 15, 2025

Gain-compensation Methodology for a Sinusoidal Scan of a Galvanometer Mirror in Proportional-Integral-Differential Control Using Pre-emphasis Techniques
09:01

Gain-compensation Methodology for a Sinusoidal Scan of a Galvanometer Mirror in Proportional-Integral-Differential Control Using Pre-emphasis Techniques

Published on: April 4, 2017

8.6K

Basis Set Extrapolation from the Vanishing Counterpoise Correction Condition.

Vladimir Fishman1, Emmanouil Semidalas1, Jan M L Martin1,2

  • 1Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, 7610001 ReḼovot, Israel.

The Journal of Physical Chemistry. A
|August 21, 2024
PubMed
Summary
This summary is machine-generated.

This study introduces a new method for basis set extrapolation by ensuring basis set superposition error (BSSE) vanishes at the complete basis set limit. This approach offers a viable alternative to traditional methods for accurate quantum chemical calculations.

More Related Videos

All-electronic Nanosecond-resolved Scanning Tunneling Microscopy: Facilitating the Investigation of Single Dopant Charge Dynamics
11:33

All-electronic Nanosecond-resolved Scanning Tunneling Microscopy: Facilitating the Investigation of Single Dopant Charge Dynamics

Published on: January 19, 2018

9.6K
An Experimental Protocol for Femtosecond NIR/UV - XUV Pump-Probe Experiments with Free-Electron Lasers
09:49

An Experimental Protocol for Femtosecond NIR/UV - XUV Pump-Probe Experiments with Free-Electron Lasers

Published on: October 23, 2018

16.0K

Related Experiment Videos

Last Updated: Jun 15, 2025

Gain-compensation Methodology for a Sinusoidal Scan of a Galvanometer Mirror in Proportional-Integral-Differential Control Using Pre-emphasis Techniques
09:01

Gain-compensation Methodology for a Sinusoidal Scan of a Galvanometer Mirror in Proportional-Integral-Differential Control Using Pre-emphasis Techniques

Published on: April 4, 2017

8.6K
All-electronic Nanosecond-resolved Scanning Tunneling Microscopy: Facilitating the Investigation of Single Dopant Charge Dynamics
11:33

All-electronic Nanosecond-resolved Scanning Tunneling Microscopy: Facilitating the Investigation of Single Dopant Charge Dynamics

Published on: January 19, 2018

9.6K
An Experimental Protocol for Femtosecond NIR/UV - XUV Pump-Probe Experiments with Free-Electron Lasers
09:49

An Experimental Protocol for Femtosecond NIR/UV - XUV Pump-Probe Experiments with Free-Electron Lasers

Published on: October 23, 2018

16.0K

Area of Science:

  • Computational Chemistry
  • Quantum Chemistry
  • Theoretical Chemistry

Background:

  • Basis set extrapolation is crucial for obtaining accurate molecular energies.
  • Current methods rely on analytical expansions or empirical fitting.
  • These methods have limitations in applicability and accuracy.

Purpose of the Study:

  • To explore a novel approach for basis set extrapolation.
  • To avoid limitations of existing analytical and fitting methods.
  • To extract extrapolation parameters from the vanishing BSSE condition.

Main Methods:

  • Developing a method based on the complete basis set (CBS) limit.
  • Utilizing the vanishing of basis set superposition error (BSSE) at the CBS limit.
  • Comparing results with traditional energy fitting methods.

Main Results:

  • The BSSE minimization approach is viable for basis set extrapolation.
  • The method requires reasonably sized and balanced basis sets.
  • BSSE minimization and energy fitting yield similar parameters for non-diffuse basis sets.

Conclusions:

  • A new, viable method for basis set extrapolation has been demonstrated.
  • This method offers an alternative to conventional techniques.
  • The approach is reliable when using appropriate basis sets.