Titlebook: Handbook of Materials Modeling; Methods: Theory and Wanda Andreoni,Sidney Yip Living reference work 20200th edition Quantum Mechanics/ Mo

Grasping

Electrical Polarization and Orbital Magnetization: The Position Operator Tamed,quantities that intuitively carry the meaning of dipole per unit volume. But for many years, both . and the orbital term in . evaded even a precise microscopic definition and severely challenged quantum mechanical calculations. Contrary to a widespread incorrect belief, . . with the periodic charge

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Defiance

,Polycrystal Plasticity Models Based on Green’s Functions: Mean-Field Self-Consistent and Full-Fieldpolycrystalline aggregates. The first, known as the viscoplastic self-consistent (VPSC) formulation, is a mean-field theory. The second, known as the viscoplastic fast Fourier transform-based (VPFFT) formulation, is a full-field method. The assumptions and main equations of these Green’s function-ba

Ophthalmoscope

Computationally Efficient Crystal Plasticity Simulations Using Spectral Databases, a polycrystalline sample. As such, they present an important avenue for improving the fidelity of multiscale modeling and simulation for a variety of phenomena involving plastic deformations in crystalline materials. However, crystal plasticity models are extremely computationally expensive, limiti

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DRAFT

Nomogram

Many-Body Calculations of Plasmon and Phonon Satellites in Angle-Resolved Photoelectron Spectra Usi description of the spectral signatures of electron-boson coupling entirely from first principles, and it has thus become the state-of-the-art theoretical tool for the description of these phenomena. In this chapter we introduce the fundamental concepts needed to interpret plasmon and phonon satelli