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Potential energy surfaces and rovibrational line lists for thiirane
(2023) -
Considerations on describing non-singlet spin states in variational second order density matrix methods
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- Journal Article
- A1
- open access
Subsystem constraints in variational second order density matrix optimization : curing the dissociative behavior
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- Journal Article
- A1
- open access
Chemical verification of variational second-order density matrix based potential energy surfaces for the N-2 isoelectronic series
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Exact ionization potentials from wavefunction asymptotics : the extended Koopmans' theorem, revisited
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The gradient curves method : an improved strategy for the derivation of molecular mechanics valence force fields from ab initio data