Computational regimes
Map of quantum chemistry and mathematics

Classical mechanics

  • Lagrange mechanics
  • Hamiltonian mechanics

Nonrelativistic Quantum mechanics

  • Molecular Schrödinger equation
  • Semiclassical EM treatment

Quantum electrodynamics

  • Quantum theory of matter-field interactions
  • Matter interacting with electromagnetic fields
  • Electron spin

Special Relativity

  • Lorenz invariance

Density-Matrix Renormalizaton Group Theory

Multiconfiguration Theory

Green's Function theory

Many-Body Theory

  • Quantum mechanics for many particles

Born-Oppenheimer Approximation

  • Semiclassical theory of nuclei

Classical electromagnetism

  • Maxwell's equations

Hartree-Fock theory

Density-functional theory

  • Hohenberg--Kohn theory
  • Lieb theory
  • Kohn-Sham theory

Configuration-Interaction Method

Coupled-Cluster Theory

  • Non-variational theory

Many-body Perturbation Theory