Quantum Chemistry VI — Frontiers
Courses
Where the field is open. Each elective stands alone on top of the core series and connects to the site’s research-grade material — the VMC paper reproduction, the solid-state pages, the TDDFT/Casida machinery.
Quantum Chemistry VI — FrontiersCourse cleared — every checkpoint passed 🎉0/0 units cleared · 0/0 questions · 9 planned · ~3h
Quantum Monte Carlo
plannedVMC and DMC — stochastic exactness, bridged to the Caffarel paper reproduction.
- lessonVariational Monte Carlo: Metropolis meets the variational principleplanned
- projectProject — VMC for H₂ with a Jastrow factor, in the browserplanned
- readingReading — the Caffarel zero-variance paper reproductionplanned
Periodic systems
plannedFrom molecules to solids: k-points, bands, and the H-chain as the bridge.
- lessonBloch states for chemistsplanned
- Live — Band formation in an H-chain (Knot → wasm)planned
- readingReading — Zone folding & APW/LAPW (solid-state pages)planned
Excited states beyond CIS
plannedEOM-CC concepts and where conical intersections live.
- lessonEOM-CC in outlineplanned
- lessonConical intersections: where Born-Oppenheimer endsplanned
Relativistic effects
plannedWhy gold is gold: scalar relativity and effective core potentials.
- lessonScalar relativity and ECPs for usersplanned