ab initio methods

What Techniques are Used in Ab Initio Methods?

Several computational techniques fall under the umbrella of ab initio methods, including:
1. Density Functional Theory (DFT): A widely used method that approximates the electronic structure of many-body systems using functionals of the electron density.
2. Hartree-Fock (HF) Method: A wavefunction-based approach that provides an approximate solution to the Schrödinger equation for a multi-electron system.
3. Quantum Monte Carlo (QMC): A stochastic method that uses random sampling to solve the Schrödinger equation.
4. Møller-Plesset Perturbation Theory (MP2): A post-Hartree-Fock method that includes electron correlation effects.

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