Skip to main content

Computational Quantum Chemistry

An Interactive Introduction to Basis Set Theory

  • 1st Edition - February 28, 2002
  • Author: Charles M. Quinn
  • Language: English
  • eBook ISBN:
    9 7 8 - 0 - 0 8 - 0 4 8 8 5 3 - 0

Computational Quantum Chemistry removes much of the mystery of modern computer programs for molecular orbital calculations by showing how to develop Excel spreadsheets to perfor… Read more

Computational Quantum Chemistry

Purchase options

Limited Offer

Save 50% on book bundles

Immediately download your ebook while waiting for your print delivery. No promo code is needed.

Book bundle cover eBook and print

Institutional subscription on ScienceDirect

Request a sales quote
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.