Keywords

Basis (linear algebra)PolarizabilityBasis setSTO-nG basis setsWave functionAtomic physicsMolecular orbitalIonizationSymmetry (geometry)Matrix (chemical analysis)ChemistryIonPhysicsComputational chemistryQuantum mechanicsMathematicsMoleculeDensity functional theoryComplete active spaceGeometry

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Publication Info

Year
1991
Type
article
Volume
79
Issue
6
Pages
419-432
Citations
731
Access
Closed

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Per‐Olof Widmark, B. Joakim Persson, Bj�rn O. Roos (1991). Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions. Theoretical Chemistry Accounts , 79 (6) , 419-432. https://doi.org/10.1007/bf01112569

Identifiers

DOI
10.1007/bf01112569