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| DFT phụ thuộc thời gian× | Phương pháp Hartree-Fock× | |
|---|---|---|
| Lĩnh vực | Tính toán lượng tử | Tính toán lượng tử |
| Họ | Machine learning | Machine learning |
| Năm ra đời≠ | 1984 | 1928 |
| Người khởi xướng≠ | Erich Runge and Eberhard Gross | Douglas Hartree and Vladimir Fock |
| Loại≠ | Excited state method | Electronic structure method |
| Công trình gốc≠ | Runge, E., Gross, E. K. (1984). Density-functional theory for time-dependent systems. Physical Review Letters, 52, 997–1000. DOI ↗ | Fock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148. link ↗ |
| Tên gọi khác | TDDFT, TDDFT/DFT | HF, self-consistent field |
| Liên quan≠ | 3 | 4 |
| Tóm tắt≠ | 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. | The Hartree-Fock (HF) method is a foundational self-consistent field approach for solving the many-electron Schrödinger equation. Developed independently by Douglas Hartree and Vladimir Fock in the late 1920s, it approximates the ground state by assuming electrons move in an average field generated by all other electrons, enabling tractable quantum chemistry calculations. |
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