SUBVOLUME EMBEDDING FOR INTERFACIAL ELECTRONIC-STRUCTURE

We discuss aspects of a new method for interfacial electronic structur e calculations which combines full potential accuracy and linear scali ng of cpu/memory requirements with the number of atomic planes. The ba sic method is to partition space into subvolumes, with a separate expa nsion of the one-electron Green function made within each subvolume. A djacent subvolumes are coupled via embedding potentials. We comment up on the advantages of the method, and illustrate with an application to the stepped jellium surface.