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20222026
most citedSigma basis sets: a new family of GTO basis sets for molecular calculations

2 citations · 2 across the 2 of their papers we have counts for

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physics.chem-ph2026

Serially Improved GTOs for Molecular Applications (SIGMA): basis sets from monovalent ions

Ignacio Ema, Guillermo Ramirez, Rafael Lopez +1

A new family of ionic basis sets, denoted iσXZ1, is presented for molecular calculations on systems containing monovalent ions. The basis sets extend the SIGMA family by explicitly…