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The 34 pages that link to Density functional theory, each with the reason it gives.

• Schrödinger equationRelated: It makes Schrödinger-based electronic structure calculations tractable for complex materials and molecules.

• Relativistic quantum chemistryRelated: Relativistic density-functional calculations make heavy-element molecules tractable at useful computational cost.

• Molecular orbitalRelated: Its Kohn–Sham orbitals are widely used to interpret molecular electronic structure.

• Valence bond theoryCompared with: It provides a modern computational alternative to localized valence-bond wavefunction models.

• Quantum chemistryRelated: It often balances computational cost and accuracy for molecular structures and reactions.

• Ground stateRelated: Many implementations seek the electronic ground-state density to predict material properties.

• Computational chemistryRelated: It balances useful accuracy and computational cost for many molecular calculations.

• Hartree–Fock methodCompared with: It is a widely used alternative to Hartree–Fock for practical electronic-structure calculations.

• Relativistic chemistryRelated: Relativistic extensions of this widely used method model heavy-element molecules.

• Electron correlationRelated: Its functional approximates effects of exchange and correlation without explicitly expanding many-electron states.

• Tight-binding modelCompared with: It can derive material-specific electronic structure beyond a chosen tight-binding parameterization.

• Electronic band structureRelated: It is widely used to calculate approximate band structures from atomic arrangements.

• Inert-pair effectRelated: Its approximations can affect calculated energy differences between oxidation states in heavy compounds.

• Molecular mechanicsCompared with: It can describe electronic rearrangements that fixed-parameter molecular mechanics cannot.

• Electron densityRelated: It computes molecular properties through functionals of the density rather than a full wavefunction.

• Nearly-free-electron modelCompared with: It offers a more general computational route to band structures than this perturbative model.

• Pauli paramagnetismRelated: Calculated states at the Fermi energy help estimate spin susceptibility in real materials.

• High-pressure chemistryRelated: Calculations predict stable structures and bonding changes that experiments can test.

• Linear combination of atomic orbitalsRelated: Many practical calculations represent its orbitals using atom-centered LCAO basis functions.

• Solid-state reactionRelated: Calculations can estimate defect energies and migration barriers that experiments struggle to isolate.

• First-principles calculationBroader topic: It is the most widely used framework for first-principles calculations of materials.

• Atomic unitsRelated: Atomic units simplify the equations and numerical scales used in many implementations.

• Theoretical chemistryRelated: It makes calculations for many molecules and materials practical at useful accuracy.

• Walter KohnBroader topic: Kohn’s central contribution was establishing the theory’s foundations and practical formulation.

• Arrow pushingRelated: Computed electron densities can test whether a proposed arrow sequence matches changing electronic structure.

• John PopleCompared with: It became a major alternative to the wavefunction-based methods central to Pople’s work.

• Koopmans' theoremCompared with: Its orbital energies are often compared with Koopmans estimates, though the formal relation differs.

• Band structure methodsRelated: It supplies the electronic structure framework behind many practical calculations of crystal bands.

• Lattice models in condensed matterCompared with: It treats material-specific electrons directly rather than starting from a simplified lattice Hamiltonian.

• Many-body techniquesCompared with: It often replaces explicit many-body wavefunctions with a more economical density description.

• Materials modelingRelated: It predicts bonding, energies, and electronic properties from atomic arrangements.

• Modern valence bond theoryCompared with: It offers a widely used alternative to explicit wavefunction expansions in molecular calculations.

• Molecular modellingCompared with: It models electrons explicitly, unlike the classical force-field approach.

• Principle of minimum energyRelated: Its variational formulation seeks the electron density that minimizes an energy functional.