Electron Scattering in Solid Matter: A Theoretical and Computational Treatise
Electron Scattering in Solid Matter: A Theoretical and Computational Treatise
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固体物质中的电子散射：理论和计算论文
DOI：
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发表时间：
2004
期刊：
影响因子：
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通讯作者：
P. Weinberger
中科院分区：
文献类型：
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作者：
J. Zabloudil;R. Hammerling;L. Szunyogh;P. Weinberger
初步定义。-多重散射。—形状函数。球对称势的非相对论性单点散射。-非相对论性全势单点散射。-自旋极化非相对论性单点散射。-球对称势的相对论单点散射。-相对论的全势单点散射。-球对称势的自旋极化相对论单点散射。-自旋极化相对论全势单点散射。-球对称势的标量相对论单点散射。-标量相对论的全势单点散射。-相移和共振能量。—结构常数。-格林的功能：一个中间的总结。-二维平动不变系统的筛选KKR方法。-电荷和磁化密度。二维和三维平移不变系统的Poisson方程和广义Madelung问题。“近场”修正。-全势计算的实际方面。-总能量。-相干势近似。—采用嵌入式集群方式。-磁性结构-框架的旋转。—相关物理属性。
Preliminary definitions.- Multiple scattering.- Shape functions.- Non-relativistic single-site scattering for spherically symmetric potentials.- Non-relativistic full potential single-site scattering.- Spin-polarized non-relativistic single-site scattering.- Relativistic single-site scattering for spherically symmetric potentials.- Relativistic full potential single-site scattering.- Spin-polarized relativistic single-site scattering for spherically symmetric potentials.- Spin-polarized relativistic full potential single-site scattering.- Scalar-relativistic single-site scattering for spherically symmetric potentials.- Scalar-relativistic full potential single-site scattering.- Phase shifts and resonance energies.- Structure constants.- Green's functions: an in-between summary.- The Screened KKR method for two-dimensional translationally invariant systems.- Charge and magnetization densities.- The Poisson equation and the generalized Madelung problem for two- and three-dimensional translationally invariant systems.- "Near field" corrections.- Practical aspects of full-potential calculations.- Total energies.- The Coherent Potential Approximation.- The embedded cluster method.- Magnetic configurations - rotations of frame.- Related physical properties.