Quantum Chemistry II — The Correlation Problem
Courses
Hartree-Fock left ~21 milli-hartree on the table at equilibrium and a catastrophe at dissociation. This course is the systematic recovery: exact answers in small boxes (FCI), perturbation series and their divergences, the exponential ansatz, and the multireference world where one determinant was never going to work.
Exact answers in small boxes
● you are here0/3 · 0/5 qFull CI where it is affordable: build it, diagonalize it, and watch it dissociate correctly.
- projectProject — FCI for H₂: the exact curve50m·
- projectProject — CIS: your first excited states40m·
- readingReading — Full Configuration Interaction (now as a practitioner)20m
- lessonAnatomy of the FCI matrix: what the coefficients sayplanned
- checkpoint0/5
Second quantization
0/4 · 0/3 q🔒 Pass the checkpoint above to unlock this unit.
CI and the size-consistency disease
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Perturbation series and their pathologies
planned🔒 Pass the checkpoint above to unlock this unit.
Coupled cluster
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Multireference
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The course as a map
The same course, drawn as a prerequisite graph — each node is a skill the units above teach; green means its questions are done.
Creation/annihilation operators; antisymmetry and Slater-Condon as algebra.
CISD, the size-consistency disease, and the Davidson patch.