Sample interview questions: What computational techniques or software have you used for simulations in atomic physics?
Sample answer:
Computational Techniques and Software for Atomic Physics Simulations
- Hartree-Fock (HF) method: A self-consistent field approach for solving the Schrödinger equation of an atomic system.
- Density Functional Theory (DFT): A method that employs a functional of the electron density to approximate the exchange and correlation effects.
- Configuration Interaction (CI) methods: Techniques that account for electron correlation by considering all possible configurations of electrons.
- Coupled-Cluster (CC) methods: Advanced CI methods that include excitations of all orders.
- Monte Carlo methods: Statistical techniques used to sample atomic properties, such as excitation energies or ionization potentials.
Software Packages
- NWChem: A high-performance computational chemistry package that supports various quantum chemistry methods, including HF, DFT, and CC.
- Turbomole: A widely used program for molecu… Read full answer