Book of Donmon Teith

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

Recent progress in the theory and computation of electronic structure is bringing an unprecedented level of capability for research. Many-body methods are becom