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Chapter 4 Example applications of the Clinton equations
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Chapters in this book
- Frontmatter I
- Acknowledgements VII
- Preface IX
- Foreword XI
- Contents XIII
- About the authors XVII
- Introduction 1
- Chapter 1 Some basic concepts of crystallography 9
- Chapter 2 Some basic concepts of quantum chemistry 25
- Chapter 3 Quantum crystallography: an introduction 55
- Chapter 4 Example applications of the Clinton equations 65
- Chapter 5 The kernel energy method: a computational approach to large systems 77
- Chapter 6 The kernel energy method: accurate and fast calculations on large systems by example 93
- Chapter 7 The quantum theory of atoms in molecules 111
- Chapter 8 The quantum theory of atoms in molecules and quantum crystallography: a symbiosis 151
- Chapter 9 The calculation of the energy 167
- Epilogue 175
- Appendix 1 Historical note: N-representability 177
- Appendix 2 Comments regarding new discussions of quantum crystallography 181
- Appendix 3 Publications on quantum crystallography by the authors 185
- Index 191
Chapters in this book
- Frontmatter I
- Acknowledgements VII
- Preface IX
- Foreword XI
- Contents XIII
- About the authors XVII
- Introduction 1
- Chapter 1 Some basic concepts of crystallography 9
- Chapter 2 Some basic concepts of quantum chemistry 25
- Chapter 3 Quantum crystallography: an introduction 55
- Chapter 4 Example applications of the Clinton equations 65
- Chapter 5 The kernel energy method: a computational approach to large systems 77
- Chapter 6 The kernel energy method: accurate and fast calculations on large systems by example 93
- Chapter 7 The quantum theory of atoms in molecules 111
- Chapter 8 The quantum theory of atoms in molecules and quantum crystallography: a symbiosis 151
- Chapter 9 The calculation of the energy 167
- Epilogue 175
- Appendix 1 Historical note: N-representability 177
- Appendix 2 Comments regarding new discussions of quantum crystallography 181
- Appendix 3 Publications on quantum crystallography by the authors 185
- Index 191