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- Journal Article
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Direct variational determination of the two-electron reduced density matrix for doubly occupied-configuration-interaction wave functions : the influence of three-index N-representability conditions
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Extended random phase approximation method for atomic excitation energies from correlated and variationally optimized second-order density matrices
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- Journal Article
- A1
- open access
Variational density matrix optimization using semidefinite programming
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- Journal Article
- A1
- open access
A primal-dual semidefinite programming algorithm tailored to the variational determination of the two-body density matrix
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Fast density matrix-based partitioning of the energy over the atoms in a molecule consistent with the Hirshfeld-I partitioning of the electron density
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Partitioning of the molecular density matrix over atoms and bonds