ScholarGate
Pembantu

Bandingkan kaedah

Semak kaedah pilihan anda secara bersebelahan; baris yang berbeza akan diserlahkan.

DFT Bergantung Masa×Teori Fungsian Ketumpatan×
BidangPerkomputeran KuantumPerkomputeran Kuantum
KeluargaMachine learningMachine learning
Tahun asal19841965
PengasasErich Runge and Eberhard GrossWalter Kohn
JenisExcited state methodElectronic structure method
Sumber perintisRunge, E., Gross, E. K. (1984). Density-functional theory for time-dependent systems. Physical Review Letters, 52, 997–1000. DOI ↗Kohn, W., Sham, L. J. (1965). Self-consistent equations including exchange and correlation effects. Physical Review, 140, A1133–A1138. DOI ↗
AliasTDDFT, TDDFT/DFTDFT, Kohn-Sham equations
Berkaitan34
RingkasanTime-Dependent Density Functional Theory (TDDFT) extends DFT to excited states and time-dependent phenomena. Formulated by Runge and Gross in 1984, TDDFT enables calculation of excitation energies, optical spectra, and charge-transfer processes with moderate computational cost, making it invaluable for photochemistry and materials science.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.
ScholarGateSet data
  1. v1
  2. 3 Sumber
  3. PUBLISHED
  1. v1
  2. 3 Sumber
  3. PUBLISHED

Pergi ke carian Muat turun slaid

ScholarGateBandingkan kaedah: Time-Dependent DFT · Density Functional Theory. Dicapai 2026-06-17 daripada https://scholargate.app/ms/compare