Quantum Mechanical Simulation

Abstract

We will not concern ourselves with the time-proven methods that are applied by quantum chemists to compute electronic energies of ever larger molecules; one recommended reference on those crafts is [Hehre 86]. In the following sections four “physical” techniques will be described that are suited for the investigation of simple quantum systems. They have been applied first to solvated electrons, hydrogen, helium, neon and silicon, and more recently also to metals, carbon and ionic melts.