Density-functional Theory Of Atoms And Molecules

This Book Is A Rigorous, Unified Account Of The Fundamental Principles Of The Density-functional Theory Of The Electronic Structure Of Matter And Its Applications To Atoms And Molecules. Containing A Detailed Discussion Of The Chemical Potential And Its Derivatives, It Provides An Understanding Of The Concepts Of Electronegativity, Hardness And Softness, And Chemical Reactivity. Both The Hohenberg-kohn-sham And The Levy-lieb Derivations Of The Basic Theorems Are Presented, And Extensive References To The Literature Are Included. Two Introductory Chapters And Several Appendices Provide All The Background Material Necessary Beyond A Knowledge Of Elementary Quantum Theory. The Book Is Intended For Physicists, Chemists, And Advanced Students In Chemistry.