Quantum Theory of Real Materials Book

	Preface
1	From First Principles to Predictions of New Properties	1
2	Density Functional Theory and Computational Materials Physics	13
3	Modeling Materials by Ab Initio Molecular Dynamics	23
4	Empirical Pseudopotentials for Semiconductors	39
5	Total Energy Calculations of Solids Using Pseudopotentials	53
6	Quantum Monte Carlo Methods	67
7	Quasiparticle Theory of Electron Excitations in Solids	83
8	Ab Initio Statistical Mechanics	101
9	First Principles Molecular Dynamics with Variable Cell Shape	113
10	New Approach to Pseudopotential Construction	129
11	Raman Scattering in Semiconductors with Reduced Translational Invariance	141
12	New Prospective in Molecular Beam Growth	165
13	First Principles and Second Principles (Semiempirical) Pseudopotentials	173
14	Microscopic Theory of the Properties of Semiconductor Heterojunctions	189
15	Total Dielectric Function Treatment of Electron and Phonon Response in Solids	201
16	Unusual Properties of Impurities and Defects: Challenges and Opportunities	211
17	Boltzmann Theory and Resistivity of Metals	219
18	Origins and Consequences of Surface Stress	251
19	First Principles Quasiparticle Calculations for Semiconductor Surfaces	261
20	Metal Surface Reconstructions	273
21	Shell Structure in Metal Clusters	287
22	Electronics Properties in Quantum Dots	299
23	Chemical Reactivity Theory for Physicists: A Work in Progress	315
24	High Pressure Phase Diagram of Silicon: A Model System in Condensed Matter Physics	335
25	Charge Transfer Gap Closure in Transition Metal Halides Under Pressure	349
26	High Pressure Phases of Semiconductors	363
27	Metallic Hydrogen	377
28	Ab Initio Pseudopotential Methods for Oxides: a-Quartz Near the Amorphous Transition	387
29	The Unusual High Temperature Superconductors: [actual symbol not reproducible] with n=1,2,3...	411
30	Intercalating High T[subscript c] Oxide Superconductors	425
31	Regularities Among the Classes of High Temperature Superconductors: Questions of Pressure	449
32	Electronic Structure of Hole-Doped Copper Oxides and a New Mechanism of High Temperature Superconductivity	465
33	Electronic Structure of Fullerenes and Fullerides	491
34	Superconductivity in Alkali Fullerenes	503
35	Photoemission and Optical Properties of C[subscript 60] Fullerites	515
36	Predicting New Hard Materials	531
	Index	545