Порівняння методів

	Метод Гартрі-Фока	Теорія функціоналу густини
Галузь	Квантові обчислення	Квантові обчислення
Родина	Machine learning	Machine learning
Рік появи	1928	1965
Автор методу	Douglas Hartree and Vladimir Fock	Walter Kohn
Тип	Electronic structure method	Electronic structure method
Основоположне джерело	Fock, V. (1930). Näherungsmethode zur Lösung des quantenmechanischen Mehrkörperproblems. Zeitschrift für Physik, 61, 126–148.	Kohn, W., Sham, L. J. (1965). Self-consistent equations including exchange and correlation effects. Physical Review, 140, A1133–A1138.
Інші назви	HF, self-consistent field	DFT, Kohn-Sham equations
Пов'язані	4	4
Підсумок	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.	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.