1.9k citations · 2.2k across the 11 of their papers we have counts for
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physics.chem-ph2009★ 42 cited
Subsystem constraints in variational second order density matrix optimization: curing the dissociative behavior
Brecht Verstichel, Helen van Aggelen, Dimitri Van Neck +2
A previous study of diatomic molecules revealed that variational second-order density matrix theory has serious problems in the dissociation limit when the N-representability is im…
cond-mat.str-el2009★ 63 cited
Variational determination of the second-order density matrix for the isoelectronic series of beryllium, neon and silicon
Brecht Verstichel, Helen van Aggelen, Dimitri Van Neck +2
The isoelectronic series of Be, Ne and Si are investigated using a variational determination of the second-order density matrix. A semidefinite program was developed that exploits…