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Titlebook: Lexikon der Mathematik: Band 5; Sed bis Zyl Guido Walz Book 2017Latest edition Der/die Herausgeber bzw. der/die Autor(en), exklusiv lizenzi

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978-3-662-53505-9Der/die Herausgeber bzw. der/die Autor(en), exklusiv lizenziert an Springer-Verlag GmbH, DE, ein Tei
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perturbed by a perpendicular external magnetic field. Calculation of induced current densities by the specific distributed-gauge method known as the ipsocentric approach offers practical and conceptual advantages. Physically realistic distributions of current density are obtained with modest basis
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Guido Walzactions. The most important advancement during this time period was the creation of a new version of symmetry-adapted perturbation theory (SAPT) which is based on the density-functional theory (DFT) description of monomers. This method, which will be described in Sect. 5.2, allows SAPT calculations
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Guido Walzactions. The most important advancement during this time period was the creation of a new version of symmetry-adapted perturbation theory (SAPT) which is based on the density-functional theory (DFT) description of monomers. This method, which will be described in Sect. 5.2, allows SAPT calculations
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Guido Walz view taken is that a perturbative series truncated at a low order can provide a valuable way for ~valuating interaction energies, especial­ ly if one limits oneself to the case of intermediate- and long-range distances between the interacting partners. Although the situation corresponding to short
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Guido Walztion. In principle, quantum mechanics allows for a mapping of such a continuous energy-geometry relation but in practice, the energy can be derived only for a limited number of points of the nuclear configuration space. This can be done by decoupling the electronic and nuclear motion, i.e. by invoki
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