Titlebook: Electronic Structure and Physical Properties of Solids; The Uses of the LMTO Hugues Dreyssé Conference proceedings 2000 Springer-Verlag Ber

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书目名称Electronic Structure and Physical Properties of Solids影响因子(影响力)




书目名称Electronic Structure and Physical Properties of Solids影响因子(影响力)学科排名




书目名称Electronic Structure and Physical Properties of Solids网络公开度




书目名称Electronic Structure and Physical Properties of Solids网络公开度学科排名




书目名称Electronic Structure and Physical Properties of Solids被引频次




书目名称Electronic Structure and Physical Properties of Solids被引频次学科排名




书目名称Electronic Structure and Physical Properties of Solids年度引用




书目名称Electronic Structure and Physical Properties of Solids年度引用学科排名




书目名称Electronic Structure and Physical Properties of Solids读者反馈




书目名称Electronic Structure and Physical Properties of Solids读者反馈学科排名

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https://doi.org/10.1007/3-540-46437-9Electronic structure; Magnetism; Numerical simulation of material; Potential; Surface and alloy^; alloy; c

外表读作

Mark A. Tomai,John P. Vasilakosd potential in the this method are represented with no inherent geometrical approximation. This method allows the calculation of total energies and forces with arbitrary accuracy while sacrificing much of the efficiency and physical content of approximate methods such as the LMTO-ASA method.

Protein

Full-Potential LMTO Total Energy and Force Calculationsd potential in the this method are represented with no inherent geometrical approximation. This method allows the calculation of total energies and forces with arbitrary accuracy while sacrificing much of the efficiency and physical content of approximate methods such as the LMTO-ASA method.

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defendant

Emerging Technologies and Health,l techniques, we have developed a . (FCD) method. In this method the charge density is obtained from the output of self-consistent linear muffin-tin orbitals (LMTO) ASA calculations, the Coulomb energy is calculated exactly from the complete, nonspherically symmetric charge density defined within no

巨头

Andreas Langer,Johannes Eurich,Simon Güntnerte the forces accurately. Similar to previous approaches, this method uses numerical integration to calculate the matrix elements for the interstitial potential, which is the limiting step for any FP-LMTO approach. However, in order to reduce the numerical e.ort as far as possible, we use a newly in

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Justice- and temporality-related findings,extended to calculate the spectroscopic properties of materials form first principles, i.e, optical spectra, x-ray magnetic circular dichroism (XMCD) and magneto-optical kerr effect (MOKE). The paper describes an overview of the FP-LMTO basis set and the calculation of the momentum matrix elements.