articleTop 1% cited
Basis-set convergence in correlated calculations on Ne, N2, and H2O
Chemical Physics Letters · 1998 · Vol. 286(3-4) · pp. 243–252
Asger Halkier✉Trygve Helgaker(University of Oslo)Poul JørgensenWim Klopper(University of Oslo)Henrik KochJeppe Olsen(Lund University)Angela K. Wilson(Pacific Northwest National Laboratory)
Advanced Chemical Physics StudiesSpectroscopy and Quantum Chemical StudiesAtomic and Molecular PhysicsExtrapolationBasis setCoupled clusterValence (chemistry)Perturbation theory (quantum mechanics)ChemistryElectronic correlationBasis (linear algebra)PhysicsAtomic physics
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References
Ab initio total atomization energies of small molecules — towards the basis set limit
Chemical Physics Letters · 1996 · 871 citations
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
The Journal of Chemical Physics · 1989 · 31,349 citations
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