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Titlebook: Electron, Spin and Momentum Densities and Chemical Reactivity; Paul G. Mezey,Beverly E. Robertson Book 2000 Springer Science+Business Medi

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31#
發(fā)表于 2025-3-26 23:47:44 | 只看該作者
32#
發(fā)表于 2025-3-27 04:08:25 | 只看該作者
Magnetisation densities and polarised neutron diffraction: optimised flipping ratio measurements,ime ratios are fixed with high accuracy and the monitor can then be corrected for slow variations of the neutron flux, without degrading the final variance of the flipping ratio. The second one is more general, and permits flipping ratios to be measured with the best accuracy available in a determin
33#
發(fā)表于 2025-3-27 07:59:20 | 只看該作者
Reliability of charge density distributions derived by the maximum entropy method,sity. It must be emphasized that because the present MEM algorithms do not contain any models, they cannot filter out inconsistencies in the data stemming from systematic errors. The MEM densities may therefore contain non-physical features not only because of systematic bias in the calculation but also because of systematic errors in the data.
34#
發(fā)表于 2025-3-27 12:15:52 | 只看該作者
Michael St.Pierre DEAA,Gesine Hofinger reduces to a one-body Schr?dinger equation with the interaction potential being regarded as an effective optical potential. For accurate structure factor refinement or the measurement of the bonding effect in a crystal the tensor theory may be used and its accuracy may be improved by the method of iteration.
35#
發(fā)表于 2025-3-27 16:00:55 | 只看該作者
36#
發(fā)表于 2025-3-27 21:51:48 | 只看該作者
37#
發(fā)表于 2025-3-28 00:31:14 | 只看該作者
the Hohenberg–Kohn theorem of Density Functional Theory plays an exceptionally important role among all the fundamental relations of Molecular Physics. In particular, the electron density distribution and the dynamic properties of this density determine both the local and global reactivities of mol
38#
發(fā)表于 2025-3-28 03:33:44 | 只看該作者
39#
發(fā)表于 2025-3-28 10:18:18 | 只看該作者
40#
發(fā)表于 2025-3-28 13:42:55 | 只看該作者
Kinetic equation, optical potential, tensor theory and structure factor refinement in high-energy e reduces to a one-body Schr?dinger equation with the interaction potential being regarded as an effective optical potential. For accurate structure factor refinement or the measurement of the bonding effect in a crystal the tensor theory may be used and its accuracy may be improved by the method of iteration.
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