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Density functional theory basis set convergence of sulfuric acid-containing molecular clusters

Referentgranskad
DOI
10.1016/j.comptc.2016.10.015
Myllys, Nanna; Elm, Jonas; Kurten, Theo
Computational and Theoretical Chemistry2016

Basis set convergence of the binding energies of strongly hydrogen-bonded atmospheric clusters

Referentgranskad
DOI
10.1039/c6cp06851k
Elm, Jonas; Kristensen, Kasper
Physical Chemistry Chemical Physics2017

Nanoplasmonics simulations at the basis set limit through completeness-optimized, local numerical basis sets

Referentgranskad
Öppen tillgång
DOI
10.1063/1.4913739
Rossi, Tuomas P.; Lehtola, S.; Sakko, Arto; Puska, Martti J.; Nieminen, Risto M.
Journal of Chemical Physics2015

Importance profiles. Visualization of atomic basis set requirements

Referentgranskad
Öppen tillgång
DOI
10.1088/2516-1075/ad31ca
Lehtola, Susi
Electronic structure2024

Curing basis set overcompleteness with pivoted Cholesky decompositions

Referentgranskad
Öppen tillgång
DOI
10.1063/1.5139948
Lehtola, Susi
Journal of Chemical Physics2019

Overcoming Convergence Problems in Simulation

Referentgranskad
Aaltonen, S.
Tallinn University of Technology1996

Tutorial:Dynamic organic growth modeling with a volatility basis set

Referentgranskad
Öppen tillgång
DOI
10.1016/j.jaerosci.2022.106063
Stolzenburg, Dominik; Wang, Mingyi; Schervish, Meredith; Donahue, Neil M.
Journal of Aerosol Science2022

Convergence of Iterations for Linear Equations

Referentgranskad
Nevanlinna, O.
Birkhäuser1993

Answer Set Optimization

Referentgranskad
Brewka, Gerhard; Niemelä, Ilkka; Truszczynski, Miroslaw
-2003

On Combining the Stubborn Set Method with the Sleep Set Method

Referentgranskad
Varpaaniemi, K.
SPRINGER1994

Density functional theory basis set convergence of sulfuric acid-containing molecular clusters

Referentgranskad
DOI
10.1016/j.comptc.2016.10.015
2016

Basis set convergence of the binding energies of strongly hydrogen-bonded atmospheric clusters

Referentgranskad
DOI
10.1039/c6cp06851k
2017

Nanoplasmonics simulations at the basis set limit through completeness-optimized, local numerical basis sets

Referentgranskad
Öppen tillgång
DOI
10.1063/1.4913739
2015

Importance profiles. Visualization of atomic basis set requirements

Referentgranskad
Öppen tillgång
DOI
10.1088/2516-1075/ad31ca
2024

Curing basis set overcompleteness with pivoted Cholesky decompositions

Referentgranskad
Öppen tillgång
DOI
10.1063/1.5139948
2019

Overcoming Convergence Problems in Simulation

Referentgranskad
1996

Tutorial:Dynamic organic growth modeling with a volatility basis set

Referentgranskad
Öppen tillgång
DOI
10.1016/j.jaerosci.2022.106063
2022

Convergence of Iterations for Linear Equations

Referentgranskad
1993

Answer Set Optimization

Referentgranskad
2003

On Combining the Stubborn Set Method with the Sleep Set Method

Referentgranskad
1994