The embedding method is a way of solving the Schrödinger equation for electrons in a region of space joined to a substrate. It is a flexible method, as well as

Answering the need to facilitate quantum-chemical calculations of systems with thousands of atoms, Kazuo Kitaura and his coworkers developed the Fragment Molecu

"In 1947, it was discovered that multiple scattering theory can be used to solve the Schrèodinger equation for the stationary states of electrons in a solid. W