Introduction to Computational Chemistry van Frank Jensen is an English-language textbook that focuses on the fundamentals of computational chemistry. This reference work is intended for professionals and academics who want to gain insight into various computational methods.
The 3rd edition of Introduction to Computational Chemistry provides a comprehensive and updated description of important developments in computational chemistry. The book covers, among other topics, polarizable force fields, tight-binding DFT, more advanced DFT functionalities, refined methods for excited states and time-dependent molecular properties, accelerated molecular dynamics, tensor decomposition methods, cluster analysis, and techniques for reducing scaling problems.
This reference work is thematically aligned with fields such as Physical Chemistry and Theoretical Chemistry, and it is suitable for use in connection with advanced studies and research in chemistry.