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Notes and Derivations

Below you can find several notes and derivations for various topics related to electronic structure theory. Many of these mirror posts elsewhere on this blog.

In no particular order:

Maximum Entropy Probability Distributions

The Magnus Expansion

Guide to Molecular Integral Evaluation

The Dirac Equation for a Free Particle

The Dirac-Hartree-Fock Equation

Equation of Motion Derivation of the RPA Equations

Broken Symmetries in Hartree Fock

Kinetic Balance in Relativistic Electronic Structure Theory

Linear-Response Coupled Cluster Theory

Derivation of Linear Response Function

Polarization Propagator and Equation of Motion Methods

Linear Response Time-Dependent Hartree Fock

The Thouless Theorem

Quadratic Response Time-Dependent Hartree Fock