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285. KOMMUT: A Program to Evaluate Commutators and
Averages of Operators Composed of Simple Fermion
Creation and Annihilation Operators
by George Purvis and Christoph Nehrkorn, Quantum Theory
Project, University of Florida, Gainesville, Florida
32611
This program evaluates commutators between composite
Boson-like operators (e.g., aI +aJ or aI +aJ +aK aL)
and anti-commutators between composite Fermion-like
operators (e.g., aI, aJ+, aI +aJ aK). The composite
operators are composed of simple creation (aI+) and
annihilation (aJ spin-orbital field operators, obeying
the commutation relations).
The program evaluates anti-commutators between two
Fermion-like operators (odd number of simple opeators)
and commutators otherwise.
From this result, the average with respect to any
determinant which can be obtained from the Hartree-Fock
ground state (HFGS) is taken. The excited determinants
are incorporated by adding the simple operators, which
produce this determinant from the HFGS to the left
and/or right side of the result of the previous
commutations.
FORTRAN IV (IBM)
Lines of Code: 1593
Recommended Citation: G. Purvis and C. Nehrkorn, QCPE
11, 285 (1975).
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