Patrick Bultinck
www.quantum.ugent.be
0000-0003-2766-2672
4 papers found
Refreshing results…
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
Analysis of molecular and (di)atomic dual-descriptor functions and matrices
Performance of Shannon-entropy compacted N-electron wave functions for configuration interaction methods
Atom and bond Fukui functions and matrices : a Hirshfeld-I atoms-in-molecule approach
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