Advancements in Density Functional Theory (Q167224): Difference between revisions

From geokb
(‎Created a new Item: Added new OpenAlex topic claimed by USGS staff from API)
 
(‎Changed label, description and/or aliases in en, and other parts: modified description with assistance from Llama 3.1)
description / endescription / en
This cluster of papers represents advancements in density functional theory, including the development of dispersion correction methods, ab initio parametrization, wavefunction analyzers, and continuum solvation models
Advances in understanding molecular behavior through computational simulations and corrections.

Revision as of 13:34, 30 August 2024

Advances in understanding molecular behavior through computational simulations and corrections.
  • Density Functional Theory
  • Dispersion Correction
  • Ab Initio Parametrization
  • Wavefunction Analyzer
  • Semiempirical Methods
  • Van der Waals Interactions
  • Continuum Solvation Models
  • Hybrid Density Functionals
  • Molecular Simulations
  • Electronic Structure Calculations
Language Label Description Also known as
English
Advancements in Density Functional Theory
Advances in understanding molecular behavior through computational simulations and corrections.
  • Density Functional Theory
  • Dispersion Correction
  • Ab Initio Parametrization
  • Wavefunction Analyzer
  • Semiempirical Methods
  • Van der Waals Interactions
  • Continuum Solvation Models
  • Hybrid Density Functionals
  • Molecular Simulations
  • Electronic Structure Calculations

Statements

 
Retrieved from "https://geokb.wikibase.cloud/w/index.php?title=Item:Q167224&oldid=1124005"