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: removed aliases from OpenAlex keywords)
 
(2 intermediate revisions by the same user not shown)
aliases / en / 0aliases / en / 0
Density Functional Theory
aliases / en / 1aliases / en / 1
Dispersion Correction
aliases / en / 2aliases / en / 2
Ab Initio Parametrization
aliases / en / 3aliases / en / 3
Wavefunction Analyzer
aliases / en / 4aliases / en / 4
Semiempirical Methods
aliases / en / 5aliases / en / 5
Van der Waals Interactions
aliases / en / 6aliases / en / 6
Continuum Solvation Models
aliases / en / 7aliases / en / 7
Hybrid Density Functionals
aliases / en / 8aliases / en / 8
Molecular Simulations
aliases / en / 9aliases / en / 9
Electronic Structure Calculations
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.
Property / same as
 
Property / same as: https://openalex.org/T10002 / rank
Normal rank
 
Property / OpenAlex ID
 
Property / OpenAlex ID: T10002 / rank
 
Normal rank

Latest revision as of 20:52, 12 September 2024

Advances in understanding molecular behavior through computational simulations and corrections.
Language Label Description Also known as
English
Advancements in Density Functional Theory
Advances in understanding molecular behavior through computational simulations and corrections.

    Statements