35 citations · 37 across the 3 of their papers we have counts for
4 papers
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…
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…
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…
Molecular calculations with B functions
E. O. Steinborn, H. H. H. Homeier, I. Ema +2
A program for molecular calculations with B functions is reported and its performance is analyzed. All the one- and two-center integrals, and the three-center nuclear attraction in…