Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 127, Issue 4, Pages -Publisher
AIP Publishing
DOI: 10.1063/1.2755738
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We present a computationally inexpensive method that yields ground state wave functions of pure spin symmetry. The method is variational and rigorously size consistent, free from adjustable parameters, and has a favorable scaling with system size. It is based on the recently introduced partially spin restricted geminal wave functions with limited spin contamination. Computations of a bond breaking, a transition metal compound, and a symmetric hydrogen cluster confirm the properties of this method. (C) 2007 American Institute of Physics.
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