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RI-MP2: optimized auxiliary basis sets and demonstration of efficiency

Chemical Physics Letters · 1998 · Vol. 294(1-3) · pp. 143–152
Florian WeigendMarco HäserHolger PatzeltReinhart Ahlrichs
Advanced Chemical Physics StudiesAtomic and Molecular PhysicsAdvanced Physical and Chemical Molecular InteractionsBasis (linear algebra)ComputationSymmetry (geometry)Charge (physics)Extension (predicate logic)Basis setBasis functionAtom (system on chip)Reduction (mathematics)Series (stratigraphy)
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Automatic Generation of Auxiliary Basis Sets
Journal of Chemical Theory and Computation · 2016 · 676 citations
References
Integral approximations for LCAO-SCF calculations
Chemical Physics Letters · 1993 · 1,718 citations
Fully optimized contracted Gaussian basis sets for atoms Li to Kr
The Journal of Chemical Physics · 1992 · 9,499 citations
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