Computational Quantum Chemistry

Title Computational Quantum Chemistry: An Interactive Introduction to Basis Set Theory
Author(s) by Charles M. Quinn  (Author)
Publisher Academic Press; 1st edition (April 4, 2002)
ISBN ISBN-13: 978-0125696821
ISBN-10: 0125696825
Length237 pages

Computational Quantum Chemistry removes much of the mystery of modern computer programs for molecular orbital calculations by showing how to develop Excel spreadsheets to perform model calculations and investigate the properties of basis sets. Using the book together with the CD-ROM provides a unique interactive learning tool. In addition, because of the integration of theory with working examples on the CD-ROM, the reader can apply advanced features available in the spreadsheet to other applications in chemistry, physics, and a variety of disciplines that require the solution of differential equations.

This book and CD-ROM makes a valuable companion for instructors, course designers, and students. It is suitable for direct applications in practical courses in theoretical chemistry and atomic physics, as well as for teaching advanced features of Excel in IT courses.

Readership

Undergraduate and graduate students, lecturers, and professionals in theoretical or physical chemistry, as well as those interested in computational chemistry and its applications with Excel.

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