Quantum theory of atoms and molecules is critically important for research oriented work in molecular physics, materials science, and many related fields including nanoscience. Still most books rely on formulae and derivations of varying degree of detailedness, but with little means to make them more accessible. MATLAB offers this option, being a widely used and popular programming language and an interactive program at the same time. Codes are offered which can be used to actually experiment with the numerical techniques. Another common shortfall of most standard texts on molecular physics is insufficient coverage of clusters, assemblies of atoms which stand in between molecules and solid (or soft) matter. There are books focusing on certain aspects of these, but there is need for a book addressing them in a coherent way together with atoms and molecules. The proposed work thus fills two gaps with a volume authored by a highly experienced book author.
Written by a highly experienced author, this book fills the need for an accessible approach to grasping and working with the concepts of quantum theory. This is made possible by the use of MATLAB codes that allow the reader to experiment with the numerical techniques described. The book is also unique in its complete coverage of such hot topics as clusters, nanocrystals, transitions and organic molecules, while illustrating the DFT, the variational and various other methods, as well as approximate wave functions.
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