Molecular Magnetizabilities Computed Via Finite Fields : Assessing Alternatives to MP2 and Revisiting Magnetic Exaltations in Aromatic and Antiaromatic Species
Magnetic properties of molecules such as magnetizabilities represent second order derivatives of the energy with respect to external perturbations. To avoid the need for analytic second derivatives and thereby permit evaluation of the performance of methods where they are not available, a new implem...
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Bibliographische Detailangaben
| Veröffentlicht in: | Molecular physics. - 1993. - 119(2021), 21-22 vom: 10.
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| 1. Verfasser: |
Stauch, Tim
(VerfasserIn) |
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| Weitere Verfasser: |
Ganoe, Brad,
Wong, Jonathan,
Lee, Joonho,
Rettig, Adam,
Liang, Jiashu,
Li, Jie,
Epifanovsky, Evgeny,
Head-Gordon, Teresa,
Head-Gordon, Martin |
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| Format: | Online-Aufsatz
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| Sprache: | English |
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| Veröffentlicht: |
2021
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| Zugriff auf das übergeordnete Werk: | Molecular physics
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| Schlagworte: | Journal Article |
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