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Results for “Graphical Unitary Group Approach”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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NASA NTRS1979

The utilization of abelian point group symmetry in the graphical unitary group approach to the calculation of correlated electronic wavefunctions

A procedure is described for the utilization of abelian point group symmetry in the graphical unitary group approach (GUGA) to calculations of correlated electronic wavefunctions. The procedure is based on a recursively computed set of symmetry dependent counting indices, and results in the separate numbering, without gaps, of the Gelfand states (configuration functions) belonging to each symmetry species

Shavitt, I.↗
NASA NTRS1983

The unitary group and the electron correlation problem

A survey is given of the background and development of the unitary group approach and its graphically-based implementations for electronic structure calculations. The nature of the unitary group and its relationship to the electronic many-body problem are briefly discussed, as well as the reasons, purpose, and methodology of its application to this problem. As much as possible, this discussion is on a mostly intuitive, non-technical level. Finally, recent accomplishments and expected future developments are briefly mentioned.

Shavitt, I.↗