Vremenski zavisna DFT
Vremenski zavisna teorija funkcionala gustine (TDDFT) proširuje DFT na pobuđena stanja i vremenski zavisne fenomene. Formulisana od strane Rungea i Grossa 1984. godine, TDDFT omogućava izračunavanje energija ekscitacije, optičkih spektara i procesa prenosa naelektrisanja uz umereni računski trošak, što je čini neprocenjivom za fotohemiju i nauku o materijalima.
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Method map
The neighbourhood of related methods — select a node to explore.
Izvori
- Runge, E., Gross, E. K. (1984). Density-functional theory for time-dependent systems. Physical Review Letters, 52, 997–1000. DOI: 10.1103/PhysRevLett.52.997 ↗
- Casida, M. E. (1995). Time-dependent density-functional response theory for molecules. In Recent Advances in Density Functional Methods. World Scientific. link ↗
- Huix-Rotllant, M., et al. (2020). Assessment of time-dependent density functional theory for excited states. In Handbook of Excited State Spectroscopy. World Scientific. link ↗
Kako citirati ovu stranicu
ScholarGate. (2026, June 3). Time-Dependent Density Functional Theory (TDDFT). ScholarGate. https://scholargate.app/sr/quantum-computing/time-dependent-dft
Which method?
Set this method beside its closest kin and read them side by side — the library lays the books on the table; the choice is yours.
- Korelisani klaster CCSDKvantno računarstvo↔ compare
- Teorija funkcionala gustineKvantno računarstvo↔ compare
- Metoda Hartree-FockKvantno računarstvo↔ compare
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