Spectra using

Correlation
Functions
Presented By:
Hossein Hadi

Directed By:
Dr. Jamshidi
Time-Dependent Perturbation Theory

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Time-Dependent Perturbation Theory

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Driving Golden Rule

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=
Maxwell’s Equations

total average energy density

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Some Other Equations 

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Driving Golden Rule

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Driving Golden Rule

In the limit t -> ∞ 8

Driving Golden Rule

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Auto-Correlation Function

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Auto-Correlation Function

Imaginary part of the Time averaged

relative permittivity energy density

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Auto-Correlation Function

Auto-Correlation Function :

Cross-Correlation Function :

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VCD using Cross-Correlation

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Calculation of Magnetic Dipole Moment

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IR&VCD obtained from AIMD

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References

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References

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References

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References

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References

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