ABSTRACT

In the previous chapter, we introduce the Green’s function method

for treating many-electron systems. To obtain the transport prop-

erties of nanometer-scale materials, we need to obtain electronic

states, taking the realistic atomic crystal structures into account.

The complete solutions to the Schro¨dinger equation for many-

electron systems are impossible to obtain, even if we use the

fastest supercomputers for the calculations. Therefore, a number of

practical computation methods have been proposed with various

approximations to solve the Schro¨dinger equation for electronic

structures of many-electron systems.