# Homework 5 (Due 6/29/16 @ 10:00 a.m.)

- Page ID
- 52463

Name: ______________________________

Section: _____________________________

Student ID#:__________________________

## Q1

A basis set is a set of functions used to create the molecular orbitals,which are expanded as a linear combination with coefficients to be determined. Apply the following questions to the three types of basis discussed in class and readings (atomic orbitals, Staler Type Orbitals and Gaussian orbitals):

- Provide the generic formula for each class.
- Provide one example of each class.
- What is the detractions and limitations of using each basis set in calculations (be specific)

## Q2

What are the differences and similarities of the spatial part of the above three basis class?

## Q3

What is the \(\zeta\) term in these basis sets and why does it exist?

## Q4

What matters most, the specific basis set used or the resulting solutions (e.g., wavefunction and energies) from the calculation and why?