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saray1360
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what does self consistent solution mean in for example Kohn-sham equations?
Understanding Self-Consistent Solutions in Kohn-Sham Equations
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The discussion centers on the concept of self-consistent solutions in Kohn-Sham equations, which are fundamental in density functional theory (DFT). A self-consistent solution is achieved when the condition F[n(𝑥)] - n(𝑥) = 0 holds true, indicating that the computed electron density remains unchanged across iterations. Key references include the original Kohn-Sham paper from 1965 and the MATLAB toolbox KSSOLV, which aids in solving these equations. Understanding these principles is crucial for accurate modeling in quantum chemistry and material science.
PREREQUISITES- Familiarity with Kohn-Sham equations
- Understanding of density functional theory (DFT)
- Basic knowledge of iterative numerical methods
- Experience with MATLAB for utilizing KSSOLV toolbox
- Study the original Kohn-Sham paper: "Self-Consistent Equations Including Exchange and Correlation Effects" by W. Kohn and L. J. Sham
- Explore the MATLAB toolbox KSSOLV for practical applications in solving Kohn-Sham equations
- Review the section on self-consistency in Richard M. Martin's "Electronic Structure"
- Investigate the implications of self-consistent solutions in quantum chemistry and material science
Researchers and practitioners in quantum chemistry, material science, and computational physics, particularly those focused on density functional theory and electronic structure calculations.
I am observing an irregular, aperiodic noise pattern in the reflection signal of a high-finesse optical cavity (finesse ≈ 20,000). The cavity is normally operated using a standard Pound–Drever–Hall (PDH) locking configuration, where an EOM provides phase modulation.
The signals shown in the attached figures were recorded with the modulation turned off. Under these conditions, when scanning the laser frequency across a cavity resonance, I expected to observe a simple reflection dip. Instead...
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