Gaussian basis sets (Quantum mechanics)

CQ

Computational quantum chemistry: an interactive guide to basis set theory

by Quinn, Charles M.

0 Type: Book

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…

CQ

Computational quantum chemistry: an interactive guide to basis set theory

by Quinn, Charles M.

0 Type: Book

This textbook is an interactive learning tool in which the power of EXCEL spreadsheet technology is applied to make plain the fundamentals of basis set theory in atomic and molecular orbital calculations. Spreadsheet calculations are provided on the accompanying CD-ROM.