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時間依存密度汎関数理論×ハートリー-フォック法×
分野量子コンピューティング量子コンピューティング
系統Machine learningMachine learning
提唱年19841928
提唱者Erich Runge and Eberhard GrossDouglas Hartree and Vladimir Fock
種類Excited state methodElectronic structure method
原典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 ↗
別名TDDFT, TDDFT/DFTHF, self-consistent field
関連34
概要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データセット
  1. v1
  2. 3 出典
  3. PUBLISHED
  1. v1
  2. 3 出典
  3. PUBLISHED

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ScholarGate手法を比較: Time-Dependent DFT · Hartree-Fock Method. 2026-06-17に以下より取得 https://scholargate.app/ja/compare