Ab Initio Calculations: Methods and Applications

ISBN: 9781984602190 出版年：2018 页码：372 Maria Emilova Velinova Bibliotex

This book provides an overview of the most used ab initio quantum methods and their applications in different fields. The methods Hartree–Fock, Moller–Plesset Perturbation theory and Coupled Cluster theory are discussed. Both their accuracy and computational performance are summarized in the first part of the book. The rest of the book is emphasizing on the significant advances in the implementation of the ab initio methods in the last years.