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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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Analysis of molecular and (di)atomic dual-descriptor functions and matrices
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Atom and bond Fukui functions and matrices : a Hirshfeld-I atoms-in-molecule approach
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Performance of Shannon-entropy compacted N-electron wave functions for configuration interaction methods
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- Journal Article
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Polynomial scaling approximations and dynamic correlation corrections to doubly occupied configuration interaction wave functions
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Variational optimization of the second-order density matrix corresponding to a seniority-zero configuration interaction wave function
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A hybrid configuration interaction treatment based on seniority number and excitation schemes