Matta C. Quantum Crystallography 2023 torrent

Textbook in PDF format

Quantum crystallography (QCr) is a novel scientific discipline combining quantum chemistry methods and crystal structure determination. Written by leading experts in the field, this book describes original quantum-mechanical approaches to obtain crystallographic data of enhanced value and explains how they correlate with real diffraction and scattering experiments. In particular, the book covers quantum N-representability, Clinton equations, kernel energy method (KEM), and quantum theory of atoms in molecules (QTAIM) methods and their applications in crystallographic studies. Readers will be interested in the Foreword written by Nobel Laureate Ada Yonath and the Epilogue by noted science philosopher Olimpia Lombardi.
Outlines the latest achievements and developments of this novel area of research.
Written by the leading scientists of the field.
Bridges together theoretical methods and experimental studies.
Some basic concepts of crystallography
Some basic concepts of quantum chemistry
Quantum crystallography: an introduction
Example applications of the Clinton equations
The kernel energy method: a computational approach to large systems
The kernel energy method: accurate and fast calculations on large systems by example
The quantum theory of atoms in molecules
The quantum theory of atoms in molecules and quantum crystallography: a symbiosis
The calculation of the energy