Author: | Andreas Heßelmann |
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URN: | urn:nbn:de:bvb:29-opus-38105 |
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Document Type: | Article |
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Language: | English |
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Date of Publication (online): | 2012/11/07 |
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Publishing Institution: | Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU) |
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Release Date: | 2012/11/07 |
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Tag: | *correlation methods; density functional theory; eigenvalues and eigenfunctions; orbital calculations; organic compounds* |
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SWD-Keyword: | *-* |
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Original publication: | Journal of Chemical Physics 136.1 (2012): 06.11.2012 <http://jcp.aip.org/resource/1/jcpsa6/v136/i1/p014104_s1> |
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Institutes: | Naturwissenschaftliche Fakultät / Naturwissenschaftliche Fakultät -ohne weitere Spezifikation- |
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Dewey Decimal Classification: | 5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften |
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PACS-Classification: | 30.00.00 ATOMIC AND MOLECULAR PHYSICS / 31.00.00 Electronic structure of atoms and molecules: theory / 31.15.-p Calculations and mathematical techniques in atomic and molecular physics (see also 02.70.-c Computational techniques, in mathematical methods in physics) / 31.15.E- Density-functional theory / 31.15.eg Exchange-correlation functionals (in current density functional theory) |
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| 30.00.00 ATOMIC AND MOLECULAR PHYSICS / 33.00.00 Molecular properties and interactions with photons / 33.15.-e Properties of molecules (see also section 31, Electronic structure of atoms and molecules: theory; for molecules of interest in astrophysics, see 95.30.Ky; for structure and properties of biomolecules, see 87.15.-v) / 33.15.Kr Electric and magnetic moments (and derivatives), polarizability, and magnetic susceptibility |
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Collections: | Universität Erlangen-Nürnberg / Allianzlizenzen / Allianzlizenzen 2012 |
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