Search results with tag "An introduction to density functional theory"

An Introduction to Density Functional Theory

An Introduction to Density Functional Theory N. M. Harrison Department of Chemistry, Imperial College of Science Technology and Medicine, SW7 2AY, London and CLRC, Daresbury Laboratory, Daresbury, Warrington, WA4 4AD For the past 30 years density functional theory has been the dominant method for the quantum mechanical simulation of periodic ...

  Introduction, Theory, Functional, Density, Density functional theory, An introduction to density functional theory