Linganisha mbinu
Pitia mbinu ulizochagua bega kwa bega; safu zinazotofautiana zinaangaziwa.
| DFT Inayotegemea Wakati× | Nadharia ya Msongamano wa Kitendakazi× | |
|---|---|---|
| Nyanja | Ukokotoaji wa Kwantamu | Ukokotoaji wa Kwantamu |
| Familia | Machine learning | Machine learning |
| Mwaka wa asili≠ | 1984 | 1965 |
| Mwanzilishi≠ | Erich Runge and Eberhard Gross | Walter Kohn |
| Aina≠ | Excited state method | Electronic structure method |
| Chanzo asilia≠ | Runge, 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 ↗ |
| Majina mbadala | TDDFT, TDDFT/DFT | DFT, Kohn-Sham equations |
| Zinazohusiana≠ | 3 | 4 |
| Muhtasari≠ | Time-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. |
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