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Strategies for extending geminal-based wavefunctions : open shells and beyond
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- journalArticle
- A1
- open access
Bonding in B₂ and B₂⁺ : insights from full configuration interaction and valence bond studies
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- journalArticle
- A1
- open access
A rigorous nonorthogonal configuration interaction approach for the calculation of electronic couplings between diabatic states applied to singlet fission
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- journalArticle
- A1
- open access
A problematic issue for atoms in molecules: impact of (quasi-)degenerate states on Quantum Theory Atoms in Molecules and Hirshfeld-I properties
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More insight in multiple bonding with valence bond theory
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- journalArticle
- A1
- open access
Six questions on topology in theoretical chemistry
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- journalArticle
- A1
- open access
Influence of push-pull group substitution patterns on excited state properties of donor-acceptor co-monomers and their trimers
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A size-consistent approach to strongly correlated systems using a generalized antisymmetrized product of nonorthogonal geminals
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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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- journalArticle
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- open access
Extensive v2DM study of the one-dimensional Hubbard model for large lattice sizes: exploiting translational invariance and parity