Calculation of magnetic coupling constants with hybrid density functionals

Calculation of magnetic coupling constants with hybrid density functionals

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Main Author: Mansikkamäki, Akseli
Other Authors: Matemaattis-luonnontieteellinen tiedekunta, Faculty of Sciences, Kemian laitos, Department of Chemistry, University of Jyväskylä, Jyväskylän yliopisto, Fysikaalinen kemia, Physical Chemistry, 4032
Format: Master's thesis
Language:eng
Published: 2013
Subjects:
DFT
magnetic coupling
magnetic coupling constants
hybrid functionals
kytkentä
Online Access: https://jyx.jyu.fi/handle/123456789/45989
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author Mansikkamäki, Akseli
author2 Matemaattis-luonnontieteellinen tiedekunta Faculty of Sciences Kemian laitos Department of Chemistry University of Jyväskylä Jyväskylän yliopisto Fysikaalinen kemia Physical Chemistry 4032
author_facet Mansikkamäki, Akseli Matemaattis-luonnontieteellinen tiedekunta Faculty of Sciences Kemian laitos Department of Chemistry University of Jyväskylä Jyväskylän yliopisto Fysikaalinen kemia Physical Chemistry 4032 Mansikkamäki, Akseli
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spellingShingle Mansikkamäki, Akseli Calculation of magnetic coupling constants with hybrid density functionals DFT magnetic coupling magnetic coupling constants hybrid functionals kytkentä
thumbnail https://jyu.finna.fi/Cover/Show?source=Solr&id=jyx.123456789_45989&index=0&size=large
title Calculation of magnetic coupling constants with hybrid density functionals
title_full Calculation of magnetic coupling constants with hybrid density functionals
title_fullStr Calculation of magnetic coupling constants with hybrid density functionals Calculation of magnetic coupling constants with hybrid density functionals
title_full_unstemmed Calculation of magnetic coupling constants with hybrid density functionals Calculation of magnetic coupling constants with hybrid density functionals
title_short Calculation of magnetic coupling constants with hybrid density functionals
title_sort calculation of magnetic coupling constants with hybrid density functionals
title_txtP Calculation of magnetic coupling constants with hybrid density functionals
topic DFT magnetic coupling magnetic coupling constants hybrid functionals kytkentä
topic_facet DFT hybrid functionals kytkentä magnetic coupling magnetic coupling constants
url https://jyx.jyu.fi/handle/123456789/45989 http://www.urn.fi/URN:NBN:fi:jyu-201505211947
work_keys_str_mv AT mansikkamäkiakseli calculationofmagneticcouplingconstantswithhybriddensityfunctionals

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