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Web Archive Capture PDF (357.5 KB).pdf

Rogers01p91.pdf

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🔗 Source: web.archive.org

📊 Size: 349 KB

📄 Pages: 6 pages

⬇️ Downloads: 180

Summary

Researchers developed a geometric formulation of the stress field for interacting quantum systems within the local density approximation of density functional theory, obtaining a stress field invariant with respect to the choice of energy density. They demonstrated this uniqueness by deriving the stress field for different energy densities and explained why certain energy densities yield more tractable expressions for the stress field, making them easier to use in first-principles calculations. The stress field is defined as a rank-two tensor field, and its divergence must equal the force field of the system. The formulation is based on a virtual work theorem and a relationship from continuum mechanics, and it can be generalized to derive the stress field for other DFT functionals and explicit many-body systems of quantum particles. The researchers showed that the stress field is invariant with respect to the choice of kinetic energy density and electrostatic energy density, making it a unique and well-defined quantity that can be computed efficiently.

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Researchers developed a geometric formulation of the stress field for interacting quantum systems within the local density approximation of density functional...

Technical Information

File Format: PDF
File Size: 349 KB
Pages: 6
Language: EN
Total Downloads: 180
Last Updated: 1 week ago

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