legitimate 发表于 2025-3-23 10:44:18
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978-3-662-53505-9Der/die Herausgeber bzw. der/die Autor(en), exklusiv lizenziert an Springer-Verlag GmbH, DE, ein TeiLament 发表于 2025-3-23 18:57:17
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荨麻 发表于 2025-3-23 23:15:51
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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 calculationsTinea-Capitis 发表于 2025-3-24 08:27:54
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发牢骚 发表于 2025-3-24 13:56:40
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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 shortGORGE 发表于 2025-3-25 01:00:07
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