Сравнение методов

	Квантовый Монте-Карло	Теория функционала плотности
Область	Квантовые вычисления	Квантовые вычисления
Семейство	Machine learning	Machine learning
Год появления	1953	1965
Автор метода	Nicholas Metropolis and colleagues	Walter Kohn
Тип	Monte Carlo simulation	Electronic structure method
Основополагающий источник	Metropolis, N., Rosenbluth, A. W., et al. (1953). Equation of state calculations by fast computing machines. Journal of Chemical Physics, 21, 1087–1092.	Kohn, W., Sham, L. J. (1965). Self-consistent equations including exchange and correlation effects. Physical Review, 140, A1133–A1138.
Другие названия	QMC, variational Monte Carlo, diffusion Monte Carlo	DFT, Kohn-Sham equations
Связанные	3	4
Сводка	Quantum Monte Carlo (QMC) is a stochastic computational method for computing ground state properties of quantum many-body systems. Combining classical Monte Carlo sampling with quantum mechanics, QMC approaches are among the most accurate methods available for electronic structure and condensed matter physics, achieving sub-percent accuracy for many systems.	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.