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Computation of interior eigenvalues in electronic structure calculations facilitated by density matrix purification.

Rubensson, Emanuel H

Computation of interior eigenvalues in electronic structure calculations facilitated by density matrix purification. [electronic resource] - The Journal of chemical physics May 2008 - 176101 p. digital

Publication Type: Journal Article

ISSN: 0021-9606

Standard No.: 10.1063/1.2913072 doi

Subjects--Topical Terms:
Algorithms
Electrons
Quantum Theory

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