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

壓榨機

書目名稱Electronic Structure and Physical Properties of Solids影響因子(影響力)




書目名稱Electronic Structure and Physical Properties of Solids影響因子(影響力)學科排名




書目名稱Electronic Structure and Physical Properties of Solids網(wǎng)絡公開度




書目名稱Electronic Structure and Physical Properties of Solids網(wǎng)絡公開度學科排名




書目名稱Electronic Structure and Physical Properties of Solids被引頻次




書目名稱Electronic Structure and Physical Properties of Solids被引頻次學科排名




書目名稱Electronic Structure and Physical Properties of Solids年度引用




書目名稱Electronic Structure and Physical Properties of Solids年度引用學科排名




書目名稱Electronic Structure and Physical Properties of Solids讀者反饋




書目名稱Electronic Structure and Physical Properties of Solids讀者反饋學科排名

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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

外表讀作

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

巨頭

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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越自我

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.