方法对比
并排查看您选择的方法；存在差异的行会高亮显示。
| 时变密度泛函理论× | Hartree-Fock 方法× | |
|---|---|---|
| 领域 | 量子计算 | 量子计算 |
| 方法族 | Machine learning | Machine learning |
| 起源年份≠ | 1984 | 1928 |
| 提出者≠ | Erich Runge and Eberhard Gross | Douglas Hartree and Vladimir Fock |
| 类型≠ | Excited state method | Electronic structure method |
| 开创性文献≠ | 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 ↗ |
| 别名 | TDDFT, TDDFT/DFT | HF, self-consistent field |
| 相关≠ | 3 | 4 |
| 摘要≠ | 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. |
| ScholarGate数据集 ↗ |
|
|