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physics.comp-ph2025
Reduced SIGMA Basis Sets: a new family of SIGMA basis sets for molecular calculations
Ignacio Ema, Jesús San-Fabián, Guillermo Ramírez +2
A new family of Gaussian-type SIGMA basis sets, termed reduced SIGMA basis sets, is introduced and preliminarily tested. Sharing the same composition as Dunning basis sets, they en…
physics.comp-ph2022★ 2 cited
Sigma basis sets: a new family of GTO basis sets for molecular calculations
Ignacio Ema, Guillermo Ramírez, Rafael López +1
A new family of Gaussian-type basis sets named sigma basis sets is presented and preliminarily tested. Sigma basis sets for H, C, N, O and P are reported and their performance is t…