Quantum Crystallography.

Format:

Book

Author/Creator:

Matta, Chérif.

Contributor:

Huang, Lulu.

Massa, Louis.

Language:

English

Subjects (All):

Quantum theory.

X-ray crystallography.

Physical Description:

1 online resource (216 pages)

Edition:

1st ed.

Place of Publication:

De Gruyter, c2023

Berlin/Boston : Walter de Gruyter GmbH, 2023.

Summary:

This monograph explores the intersection of quantum crystallography (QCr) and quantum mechanics, presenting a detailed review of the authors' contributions and interests in the field. It delves into the historical context and core ideas that led to the development of QCr, a field that combines experimental X-ray crystallography and theoretical quantum mechanics. The book emphasizes the importance of the density matrix and its quantum mechanical validity, contrasting it with electron density accuracy. It is intended for researchers and students interested in the nuances of quantum mechanics and crystallography, offering insights into the evolution of these disciplines and highlighting the work of prominent figures who have influenced the authors. Generated by AI.

Contents:

Intro

Acknowledgements

Preface

Foreword

Contents

About the authors

Introduction

Chapter 1 Some basic concepts of crystallography

Chapter 2 Some basic concepts of quantum chemistry

Chapter 3 Quantum crystallography: an introduction

Chapter 4 Example applications of the Clinton equations

Chapter 5 The kernel energy method: a computational approach to large systems

Chapter 6 The kernel energy method: accurate and fast calculations on large systems by example

Chapter 7 The quantum theory of atoms in molecules

Chapter 8 The quantum theory of atoms in molecules and quantum crystallography: a symbiosis

Chapter 9 The calculation of the energy

Epilogue

Appendix 1 Historical note: N-representability

Appendix 2 Comments regarding new discussions of quantum crystallography

Appendix 3 Publications on quantum crystallography by the authors

Index.

Notes:

Description based on publisher supplied metadata and other sources.

Part of the metadata in this record was created by AI, based on the text of the resource.

Other Format:

Print version: Matta, Chérif Quantum Crystallography

ISBN:

9783110566673

3110566672

9783110565713

3110565714

OCLC:

1394118962