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Direct determination of pseudonatural orbitals (1973)

Palting, Pancracio

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 7 (1973), S. 717-723

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ISSN: 0020-7608

Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: It is shown how to obtain pseudonatural orbitals directly from the equations of motion. A sample calculation on the ground state of the Be atom is given.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560070409

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