2 papers
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…
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…