Resultaten visas 1 - 10 / 2443
resultat / per sida
Vilka publikationsuppgifter finns i tjänsten?
Publikationens namn
Upphovspersoner
Publikationskanal
År
Publicationer information ikon

Polarized Gaussian basis sets from one-electron ions

Referentgranskad
Öppen tillgång
DOI
10.1063/1.5144964
Lehtola, Susi
Journal of Chemical Physics2020Publicationer information ikon

Automatic Algorithms for Completeness-Optimization of Gaussian Basis Sets

Referentgranskad
DOI
10.1002/jcc.23802
Lehtola, Susi
Journal of computational chemistry2015Publicationer information ikon

Calculation of isotropic Compton profiles with Gaussian basis sets

Referentgranskad
DOI
10.1039/C0CP02269A
Lehtola, Jussi; Hakala, Mikko; Vaara, Juha; Hämäläinen, Keijo
Physical chemistry chemical physics2011Publicationer information ikon

Calculation of isotropic Compton profiles with Gaussian basis sets

Referentgranskad
DOI
10.1039/C0CP02269A
Lehtola, Jussi Samuli; Hakala, Mikko Oskari; Vaara, Juha; Hämäläinen, Keijo
Physical Chemistry Chemical Physics2011Publicationer information ikon

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 Physics2015Publicationer information ikon

Accurate Hellmann-Feynman forces from density functional calculations with augmented Gaussian basis sets

Referentgranskad
Öppen tillgång
DOI
10.1063/5.0130668
Pathak, Shivesh; Ema Lopez, Ignacio; Lee, Alex J.; Bricker, William P.; Lopez Fernandez, Rafael; Leh...
Journal of Chemical Physics2023Publicationer information ikon

Optimal Gaussian Basis Functions for Chemometrics

Kärnä, Tuomas; Lendasse, Amaury
-2007Publicationer information ikon

Compressing spectral data using optimised Gaussian basis

Referentgranskad
Kärnä, Tuomas; Corona, Francesco; Lendasse, Amaury
Journal of Chemometrics2008Publicationer information ikon

Compressing Spectral Data Using Optimized Gaussian Basis

Referentgranskad
Kärnä, Tuomas; Corona, Francesco; Lendasse, Amaury
-2007Publicationer information ikon

Efficient implementation of the superposition of atomic potentials initial guess for electronic structure calculations in Gaussian basis sets

Referentgranskad
Öppen tillgång
DOI
10.1063/5.0004046
Lehtola, Susi; Visscher, Lucas; Engel, Eberhard
Journal of Chemical Physics2020

Polarized Gaussian basis sets from one-electron ions

Referentgranskad
Öppen tillgång
DOI
10.1063/1.5144964
2020

Automatic Algorithms for Completeness-Optimization of Gaussian Basis Sets

Referentgranskad
DOI
10.1002/jcc.23802
2015

Calculation of isotropic Compton profiles with Gaussian basis sets

Referentgranskad
DOI
10.1039/C0CP02269A
2011

Calculation of isotropic Compton profiles with Gaussian basis sets

Referentgranskad
DOI
10.1039/C0CP02269A
2011

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

Referentgranskad
Öppen tillgång
DOI
10.1063/1.4913739
2015

Accurate Hellmann-Feynman forces from density functional calculations with augmented Gaussian basis sets

Referentgranskad
Öppen tillgång
DOI
10.1063/5.0130668
2023

Optimal Gaussian Basis Functions for Chemometrics

2007

Compressing spectral data using optimised Gaussian basis

Referentgranskad
2008

Compressing Spectral Data Using Optimized Gaussian Basis

Referentgranskad
2007

Efficient implementation of the superposition of atomic potentials initial guess for electronic structure calculations in Gaussian basis sets

Referentgranskad
Öppen tillgång
DOI
10.1063/5.0004046
2020