Fully numerical electronic structure calculations on diatomic molecules in weak to strong magnetic fields期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

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Fully numerical electronic structure calculations on diatomic molecules in weak to strong magnetic fields

Authors:	Susi Lehtola Maria Dimitrova Dage Sundholm

Institution:	1. Department of Chemistry, University of Helsinki, Helsinki, Finlandsusi.lehtola@alumni.helsinki.fihttps://orcid.org/0000-0001-6296-8103;3. Department of Chemistry, University of Helsinki, Helsinki, Finlandhttps://orcid.org/0000-0002-0711-3484;4. Department of Chemistry, University of Helsinki, Helsinki, Finlandhttps://orcid.org/0000-0002-2367-9277

Abstract:

Keywords:	Magnetic field finite element Hartree–Fock intermediate regime basis set truncation error