First-principles calculations in real-space formalism : electronic configurations and transport properties of nanostructures / Kikuji Hirose [and others].
Includes bibliographical references (pages 231-248) and index.
Contents
Foundations of methodology -- Solvers of the Poisson equation and related techniques -- Minimization procedures of the energy functional -- Timesaving double-grid technique -- Implementation for systems under various boundary conditions -- Basic scheme of the overbridging boundary-matching method -- Inclusion of norm-conserving pseudopotentials -- Jellium electrode approximation -- Green's function formalism and the overbridging boundary-matching scheme -- Calculation method based on the Lippmann-Schwinger equation.
Local Note
eBooks on EBSCOhost EBSCO eBook Subscription Academic Collection - North America