 ORCA (quantum chemistry program)

ORCA is a computational quantum chemistry program designed to perform a variety of quantum mechanical calculations on molecular systems. It is particularly known for its versatility and efficiency and is used by researchers in fields such as chemistry, material science, and biochemistry. The package is capable of performing a range of methods, including: 1. **Density Functional Theory (DFT)**: ORCA supports numerous DFT functionals, making it suitable for studying electron densities and energy landscapes.