This graduate textbook provides comprehensive information on topological analysis in real space of the electronic structure. Application of the topological tools is becoming routine for understanding the outcome of quantum chemical calculations. This title thoroughly reviews a selection of currently available topological tools, their use and spectrum of applications and provides graduate students and researchers with information not easily obtained from the available textbooks. The book is accompanied by worked examples, exercises and solutions and is a great tool for any quantum chemistry or computational chemistry course at the graduate and advanced undergraduate levels.
This graduate textbook provides comprehensive information on topological analysis in real space of the electronic structure. Application of the topological tools is becoming routine for understanding the outcome of quantum chemical calculations. This title thoroughly reviews a selection of currently available topological tools, their use and spectrum of applications and provides graduate students and researchers with information not easily obtained from the available textbooks. The book is accompanied by worked examples, exercises and solutions and is a great tool for any quantum chemistry or computational chemistry course at the graduate and advanced undergraduate levels.
Written for advanced undergraduates and masters students Includes worked examples, exercises and solutions Takes a didactic approach
Ángel Martín Pendás
Chemical bond Chemical bond book Atoms in molecules Topological approach in molecules Quantum chemical topology Chemical topology Chemical Bonding Theory Topology of electron density Topological approach chemistry Topological Methods in Chemistry Quantum theory of atoms in molecules Topological approach in solids QTAIM Computational chemistry Theoretical Chemistry and Computational Modelling