Molecular Physics and Quantum Chemistry Handbook

ISBN: 9781984607188 出版年：2018 页码：283 Maria Emilova Velinova Bibliotex

This handbook puts together up-to-date articles of the most important theoretical methods and experimental techniques for the study of molecules and molecular systems. It focuses on modelling and simulations using the advanced computational techniques in molecular physics and quantum chemistry such as first-principles methods (ab initio), density functional theory (DFT), molecular dynamics and Monte Carlo methods. About the experimental aspect of the book, various types of spectroscopy are discussed.