Quantum Crystallography: Expectations vs Reality

This book explores the potential of quantum crystallography. The field accompanied the major milestones of x-ray diffraction and it has undergone a rapid evolution in the past few years. For this reason, some reflections are necessary in order to scrutinize the next steps and anticipate the future developments. After a short survey of the historical background and in depth description of the state of the art, some examples are provided of current and future applications of the know-how in this discipline. This implies attracting readership of both experts in the field and neophytes. The former will test their own views with the one exposed in the book; the newcomers, instead, will learn both what has been done and what could be done with quantum crystallography.

It is unique. A few review articles have appeared recently on the subject, but none with a consistent outlook It attracts both experts and neophytes (see above for a detailed reasoning) It is thought-provoking

Klappentext

This book explores the potential of quantum crystallography. The field accompanied the major milestones of x-ray diffraction and it has undergone a rapid evolution in the past few years. For this reason, some reflections are necessary in order to scrutinize the next steps and anticipate the future developments. After a short survey of the historical background and in depth description of the state of the art, some examples are provided of current and future applications of the know-how in this discipline. This implies attracting readership of both experts in the field and neophytes. The former will test their own views with the one exposed in the book; the newcomers, instead, will learn both what has been done and what could be done with quantum crystallography.

Inhalt
Chapter 1. Introduction.- Chapter 2. How does quantum mechanics jump in the field of crystallography?.- Chapter 3. Beyond the semi-classical view of atoms and molecules in crystals.- Chapter 4. Testing chemical bond theories with Quantum crystallography.- Chapter 5. Calculating the crystal wavefunction from crystallographic experiments.- Chapter 6. Crystallography and the standard model.- Chapter 7. Quantum Crystallography in the everyday life of a crystallographer and a quantum chemist.- Chapter 8. Concluding remarks.