Advanced ab initio Methods, Density Functional Theory and Solid-state Quantum Mechanics

Advanced ab initio Methods, Density Functional Theory and Solid-state Quantum Mechanics 

In Chapter 2 we worked through the two most commonly used quantum mechanical models for performing calculations on ground-state organic -like molecules, the ab initio and semi-empirical approaches. We also considered some of the properties that can be calculated using these techniques. In this chapter we will consider various advanced features of the ab initio approach and also examine the use of density functional methods. Finally, we will examine the important topic of how quantum mechanics can be used to study the solid state. 

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