The contents in this volume are based on the program Sets and Computations that was held at the Institute for Mathematical Sciences, National University of Sing

This book addresses the construction and application of the major types of basis sets for computational chemistry calculations. In addition to a general introdu

Computational Quantum Chemistry removes much of the mystery of modern computer programs for molecular orbital calculations by showing how to develop Excel sprea

These two volumes deal with the quantum theory of the electronic structure of molecules. Implicit in the term ab initio is the notion that approximate solutions

This must-read text presents the pioneering work of the late Professor Jacob (Jack) T. Schwartz on computational logic and set theory and its application to pro