Computational quantum chemistry an interactive guide to basis set theory
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...
| Main Author: | |
|---|---|
| Format: | eBook |
| Language: | English |
| Published: |
San Diego, Calif.
Academic Press
c2002, 2002
|
| Subjects: | |
| Online Access: | |
| Collection: | Elsevier ScienceDirect eBooks - Collection details see MPG.ReNa |
Table of Contents:
- Includes bibliographical references (p. [229]-230) and index
- numerical solutions
- The helium atom and the self-consistent field
- One- and two-electron diatoms