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 uniqu
Computational Quantum Chemistry: An Interactive Guide to Basis Set Theory
β Scribed by Charles M. Quinn
- Year
- 2002
- Tongue
- English
- Leaves
- 237
- Edition
- 1st
- Category
- Library
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
<p></p><p>This book addresses the construction and application of the major types of basis sets for computational chemistry calculations. In addition to a general introduction, it includes mathematical basics and a discussion of errors arising from incomplete or inappropriate basis sets. The differe
<p>The aim of this book is to give a simple, short, and elementary introduction to the second quantized formalism as applied to a many-electron system. It is intended for those, mainly chemists, who are familiar with traditional quantum chemistry but have not yet become acquainted with second quanti
From Distributed Quantum Computing to Quantum Internet ComputingUnderstand the future of the internet with this accessible guide Quantum computing, which draws upon the principles of quantum mechanics to perform computing functions unrestricted by the binary language of ordinary computing, has deve