Density Functional Theory
Density Functional Theory (DFT) is a computational method for determining the properties of materials and molecules by modeling the ground state electron density. Developed by Walter Kohn and Lu Jeu Sham in the 1960s, DFT reduces the complexity of quantum chemistry from tracking individual electron coordinates to optimizing the total electron density, enabling efficient simulations of large molecular and condensed-matter systems.
Kilderegistrering
Citater kopieret ordret fra metodens kilderegistrering. Ingen påstandsniveauverifikation er udledt heraf.
- Kohn, W., Sham, L. J. (1965). Self-consistent equations including exchange and correlation effects. Physical Review, 140, A1133–A1138. · DOI 10.1103/PhysRev.140.A1133
- Hohenberg, P., Kohn, W. (1964). Inhomogeneous electron gas. Physical Review, 136, B864–B871. · DOI 10.1103/PhysRev.136.B864
- Burke, K. (2012). Perspective on density functional theory. The Journal of Chemical Physics, 136, 150901. · DOI 10.1063/1.4704546
Kuraterede påstande
Påstande gemt i bevis-loggen, hver med sin egen vurdering.
Denne visning opfinder ikke en påstandsvurdering, når loggen ingen har.
Relaterede metoder
Genereret fra metodegrafen og vist som maskinelt foreslåede relationer — ingen bevispåstand er udledt.