In this paper we develop a theory for computing the nonabelian tensor square and related computations for finitely presented groups and specialize it to polycyclic groups. This theory provides a framework for making nonabelian tensor square computations for polycyclic groups and is the basis of an algorithm for computing the nonabelian tensor square for any polycyclic group.

In this paper we determine the nonabelian tensor square of the free 2-Engel group of rank 3 and of the Burnside group on 3 generators of exponent 3. Both tensor squares are nilpotent groups of class 2. The calculatory method used is based on the concept of a crossed pairing. Some of the expansion formulas and verifications occuring in this context require extensive calculations. A computer program written in the GAP language assisted in completing these symbolic computations.

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Using a new classification of 2-generator p-groups of class 2, we compute various homological functors for these groups. These functors include the nonabelian tensor square, nonabelian exterior square and the Schur multiplier. We also determine which of these groups are capable and which are unicentral.