1 online resource (viii, 237 pages) : color illustrations
Contents:
Essential atomic orbital theory -- Numerical integration -- Orthonormality -- The hydrogen atom : numerical solutions -- The helium atom and the self-consistent field -- One- and two-electron diatoms.
Abstract:
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.
