Towards An Optimal Gradient-Dependent Energy Functional of the PZ-SIC Form

Elvar Orn Jonsson, Susi Lehtola, Hannes Jonsson

Tutkimustuotos: Artikkelijulkaisu › Konferenssiesitelmän abstrakti › vertaisarvioitu

Pääsy asiakirjaan

@article{60a0b2e0df0d434283a2b07e53d3b13e,

title = "Towards An Optimal Gradient-Dependent Energy Functional of the PZ-SIC Form",

keywords = "Density functional theory, Exchange-correlation functional, Self-interaction correction",

author = "Jonsson, {Elvar Orn} and Susi Lehtola and Hannes Jonsson",

year = "2015",

doi = "10.1016/j.procs.2015.05.417",

language = "English",

volume = "51",

pages = "1858--1864",

journal = "Procedia Computer Science",

issn = "1877-0509",

publisher = "Elsevier Scientific Publ. Co",

}

TY - JOUR

T1 - Towards An Optimal Gradient-Dependent Energy Functional of the PZ-SIC Form

AU - Jonsson, Elvar Orn

AU - Lehtola, Susi

AU - Jonsson, Hannes

PY - 2015

Y1 - 2015

KW - Density functional theory

KW - Exchange-correlation functional

KW - Self-interaction correction

UR - https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=uh_pure&SrcAuth=WosAPI&KeyUT=WOS:000373939100189&DestLinkType=FullRecord&DestApp=WOS

U2 - 10.1016/j.procs.2015.05.417

DO - 10.1016/j.procs.2015.05.417

M3 - Meeting Abstract

SN - 1877-0509

VL - 51

SP - 1858

EP - 1864

JO - Procedia Computer Science

JF - Procedia Computer Science

ER -