Preface ....................................................... vii
Contributors ................................................... ix
1 Introduction of Probability Concepts in Physics - The
Path to Statistical Mechanics ................................ 1
N. Sukumar
2 Does God Play Dice? ......................................... 15
N. Sukumar
3 The Electron Density ........................................ 41
N. Sukumar and Sunanda Sukumar
4 Atoms in Molecules .......................................... 67
N. Sukumar
5 Density Functional Approach to the Electronic Structure
of Matter .................................................. 107
N. Sukumar
6 Density-Functional Approximations for Exchange and
Correlation ................................................ 125
Viktor N. Staroverov
7 An Understanding of the Origin of Chemical Reactivity
from a Conceptual DFT Approach ............................. 157
Arindam Chakraborty, Soma Duley, Santanab Giri, and
Pratim Kumar Chattaraj
8 Electron Density and Molecular Similarity .................. 203
N. Sukumar
9 Electrostatic Potentials and Local Ionization Energies
in Nanomaterial Applications ............................... 233
Peter Politzer, Felipe A. Bulat, James Burgess, Jeffrey
W. Baldwin, and Jane S. Murray
10 Probing Electron Dynamics with the Laplacian of the
Momentum Density ........................................... 257
Preston J. MacDougall and M. Creon Levit
11 Applications of Modern Density Functional Theory to
Surfaces and Interfaces .................................... 271
G. Pilania, H. Zhu, and R. Ramprasad
Index ......................................................... 313
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