User:Repisky/sandbox

ReSpect (Relativistic Spectroscopy) is a relativistic quantum chemistry program for the calculation of spectroscopic parameters of molecules and solids. The program combines density functional theory with the four-component (Dirac) Hamiltonian as well as the exact two-component (X2C) Hamiltonian to provide accurate description of relativistic effects. The program is available free-of-charge to academic community, and its most recent version was released on July 6, 2023.