4 citations · 4 across the 1 of their papers we have counts for
2 papers
physics.chem-ph2020
On the Computation of Dipole Moments: A Recommendation on the Choice of the Basis Set and the Level of Theory
Juan Camilo Zapata, Laura K. McKemmish
Together with experimental data, theoretically predicted dipole moments represent a valuable tool for different branches in the chemical and physical sciences. With the diversity o…
physics.chem-ph2020★ 4 cited
Mixed ramp-Gaussian basis sets for core-dependent properties: STO-RG and STO-R2G for Li-Ne
Claudia S. Cox, Juan Camilo Zapata, Laura K. McKemmish
The traditional Gaussian basis sets used in modern quantum chemistry lack an electron-nuclear cusp, and hence struggle to accurately describe core electron properties. A recently i…