Relativistic quantum chemistry: today and tomorrow

Abstract

<p indent=0mm>The fundamental concepts, principles, theories, and methodologies in relativistic quantum chemistry are summarized, focusing on the three elements of the quantum mechanical equation <italic>H</italic>Ψ=<italic>E</italic>Ψ (i.e., the Hamiltonian <italic>H</italic> that determines the physics, the wave function Ψ that describes the distribution of electrons, and the energy/observable <italic>E</italic>[<italic>H</italic>,Ψ] that is a function of <italic>H</italic> and Ψ). Future developments of the growing field of relativistic quantum chemistry are also highlighted.