CHAPTER 1 OVERVIEW OF ELECTRONIC STRUCTURE CRYSTALLOGRAPHY <br>1.1 Introduction <br>1.2 History of Electronic Structure Crystallography <br>1.3 Basic Descriptors of Electronic Structure <br>1.4 Experimental Characterization of Electronic Structure<br>References<br>CHAPTER 2 FIRST-PRINCIPLE CALCULATION OF THE ELECTRON DENSITY FUNCTIONS <br>2.1 Introduction <br>2.2 Basic Framework and Assumptions of the First-Principle Calculations<br>2.3 Density Matrix and Density Function <br>2.4 Hartree-Fock (HF) and Kohn-Sham (KS) Methods <br>References <br>CHAPTER 3 TOPOLOGICAL INDICIES AND PROPERTIES OF ELECTRONIC STRUCTURES <br>3.1 Introduction <br>3.2 Analysis of Topological Atoms in Molecules <br>3.3 Chemical Interaction Analysis <br>3.4 Coarse Graining and Energy Partition of the Density Matrix <br>3.5 Restricted Space Partition<br>3.6 Intermolecular Interaction Energy<br>References <br>CHAPTER 4 PRINCIPLES OF ELECTRONIC STRUCTURE MEASUREMENT <br>4.1 Introduction <br>4.2 Thermal Vibration Analysis <br>4.3 Scattering Experiments<br>4.4 Refinement Algorithm for Experimental Electronic Structure<br>References <br>CHAPTER 5 PSEUDOATOM MODEL <br>5.1 Introduction <br>5.2 Independent Atom Model<br>5.3 Kappa Model<br>5.4 Multipole Model<br>5.5 Spin Density Model <br>5.6 Other Electron Density Models<br>References<br>CHAPTER 6 DENSITY MATRIX MODEL<br>6.1 Introduction <br>6.2 Density Matrix Model<br>6.3 Correlation of Density Matrix to Scattering Experiments<br>6.4 Reconstruction and Refinement of the Density Matrix<br>References<br>CHAPTER 7 ELECTRON WAVEFUNCTION MODELS<br>7.1 Introduction <br>7.2 X-Ray Constrained Wavefunction (XCW) Model<br>7.3 The X-Ray Constrained Extremely Localized Molecular Orbital Method<br>References <br>CHAPTER 8 FUNCTIONAL ELECTRONIC STRUCTURES AND FUNCTIONAL MOTIF OF MATERIALS<br>8.1 Introduction<br>8.2 Material Functional Motif <br>8.3 Functional Electronic Structures<br>8.4 Function-oriented Design of Functional Materials<br>References<br>