Computational chemistry, including electronic structure modeling, is a fast and accurate tool for treating large chemically meaningful systems. Unique among current quantum chemistry texts, Electronic Structure Modeling: Connections Between Theory and Software enables nonspecialists to employ computational methods in their own investigations. The t

chapter 4|16 pages

Gaussian-Lobe Basis Sets

chapter 5|40 pages

A Very Simple MO Program Helium in SCF1s

chapter 6|42 pages


chapter 9|44 pages

Aspiration to Chemical Accuracy

chapter 10|14 pages

Modeling the Coulomb Hole

chapter 11|74 pages

Density Functional Theory Introduction

chapter 12|46 pages


chapter 13|28 pages


chapter 14|56 pages

The Phenomenon of Optical Rotation