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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| Publié dans: | Molecular physics. - 1993. - 119(2021), 21-22 vom: 10.
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| Auteur principal: |
Stauch, Tim
(Auteur) |
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| Autres auteurs: |
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: | Article en ligne
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| Langue: | English |
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| Publié: |
2021
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| Accès à la collection: | Molecular physics
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| Sujets: | Journal Article |
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