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Book Categories |
1 | Crystal Lattices and Crystal Symmetry | 1 |
2 | The Language of Band Theory | 31 |
3 | Ab-Initio Approaches to the Quantum-Mechanical Treatment of Periodic Systems | 47 |
4 | Reciprocal Space Integration and Special-Point Techniques | 77 |
5 | Numerical Integration in Density Functional Methods with Linear Combination of Atomic Orbitals | 91 |
6 | Hartree-Fock Treatment of Spin-Polarized Crystals | 101 |
7 | The Quantum Theory of Periodic Systems on Modern Computers | 113 |
8 | The CRYSTAL Code | 125 |
9 | Description of an LAPW DF Program (WIEN95) | 139 |
10 | A Pseudopotential Plane Waves Program (PWSCF) and some Case Studies | 155 |
11 | Total Energy and Related Properties | 179 |
12 | Lattice Dynamics and Thermodynamic Properties | 209 |
13 | Loss of Symmetry in Crystals: Surfaces and Local Defects | 227 |
14 | One-Electron Density Matrices and Related Observables | 245 |
15 | Macroscopic Dielectric Polarization: Hartree-Fock Theory | 273 |
16 | The Hubbard Models and Superconductivity | 289 |
A | Schedule of the 1994 GICC School of Computational Chemistry | 321 |
B Subject Index | 323 | |
C List of Acronyms | 328 |
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Add Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials, Vol. 67, A number of general-purpose, reasonably accurate and well-tested ab-initio codes for crystals are discussed in this book. The aim is to expand competence of their application in material sciences and solid-state physics. The book addresses particularly re, Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials, Vol. 67 to the inventory that you are selling on WonderClubX
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Add Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials, Vol. 67, A number of general-purpose, reasonably accurate and well-tested ab-initio codes for crystals are discussed in this book. The aim is to expand competence of their application in material sciences and solid-state physics. The book addresses particularly re, Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials, Vol. 67 to your collection on WonderClub |