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Unrestricted treatment for the direct variational determination of the two-electron reduced density matrix for doubly

Diego R Alcoba1, Alicia Torre2, Luis Lain2

  • 1Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires and Instituto de Física de Buenos Aires, Consejo Nacional de Investigaciones Científicas y Técnicas. Ciudad Universitaria, 1428 Buenos Aires, Argentina.

The Journal of Chemical Physics
|May 3, 2019
PubMed

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