What Methods are Used in Quantum Mechanics Simulations?
Several computational methods are commonly used in quantum mechanics simulations:
Density Functional Theory (DFT): A widely-used method that approximates the quantum mechanical many-body problem of interacting electrons in a system. Molecular Dynamics (MD): Simulates the physical movements of atoms and molecules using quantum mechanical principles. Quantum Monte Carlo (QMC): A stochastic method that uses random sampling to solve quantum problems, often used when other methods are computationally prohibitive. Time-Dependent Density Functional Theory (TD-DFT): Extends DFT to study the time-dependent properties of systems, useful for understanding excited states and dynamic processes.
