Orbitals and Angles

Up to this point in this chapter, we have approached the description of the molecular orbitals for molecules with the structure already being known. Intuitively, we know that the H20 molecule has an 

One of the simplest approaches to comprehensive molecular orbital calculations is the extended Hiickel method. This method was developed by Roald Hoffman in the 1960s, and it was applied to hydrocarbon molecules. From the discussion presented in Chapters 2 and 3, we know that one of the first things that has to be done is to choose the atomic wave functions that will be used in the calculations. One of the most widely used types of wave functions is that known as the Slater wave functions (see Section 2.4). In the extended Hiickel method, the molecular wave functions are approximated as 

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