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1. Density functional theory: Density-functional theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground state) of many-body systems, in particular atoms, molecules, and the ... (Computational quantum mechanical modelling method to investigate the electronic structure) [100%] 2023-12-12 [Density functional theory] [Electronic structure methods]...
2. Density functional theory: Density-functional theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground state) of many-body systems, in particular atoms, molecules, and the ... (Computational quantum mechanical modelling method to investigate the electronic structure) [100%] 2023-10-26 [Density functional theory] [Electronic structure methods]...
3. Density Functional Theory: Density Functional Theory (DFT) is one of the most popular methods of quantum mechanics. Today it is applied to calculate several molecular properties, for example, binding energies of molecules in chemistry and band structures of solids in physics, but also ... [100%] 2023-10-27 [Quantum mechanics]
4. Lattice density functional theory: Lattice density functional theory (LDFT) is a statistical theory used in physics and thermodynamics to model a variety of physical phenomena with simple lattice equations. Lattice models with nearest-neighbor interactions have been used extensively to model a wide variety ... [86%] 2025-04-25 [Statistical mechanics] [Density functional theory]...
5. Time-dependent density functional theory: Time-dependent density-functional theory (TDDFT) is a quantum mechanical theory used in physics and chemistry to investigate the properties and dynamics of many-body systems in the presence of time-dependent potentials, such as electric or magnetic fields. The ... (Chemistry) [77%] 2023-10-27 [Density functional theory] [Computational chemistry]...
6. Orbital-free density functional theory: In computational chemistry, orbital-free density functional theory is a quantum mechanical approach to electronic structure determination which is based on functionals of the electronic density. It is most closely related to the Thomas–Fermi model. (Chemistry) [77%] 2023-10-27 [Density functional theory] [Computational chemistry]...
7. Orbital-free density functional theory: In computational chemistry, orbital-free density functional theory (OFDFT) is a quantum mechanical approach to electronic structure determination which is based on functionals of the electronic density. It is most closely related to the Thomas–Fermi model. [77%] 2025-03-10 [Density functional theory] [Computational chemistry]...