Grid: A Python library for molecular integration, interpolation, differentiation, and more - Tehrani, Alireza; Yang, Xiaotian Derrick; Martínez-González, Marco; Pujal, Leila; Hernández-Esparza, Raymundo; Chan, Matthew; Vöhringer-Martinez, Esteban; Verstraelen, Toon; Ayers, Paul W.; Heidar-Zadeh, Farnaz (The Journal of chemical physics, 2024)
Keywords: Computational chemistry; Density functional theory; Interpolation; Libraries; Molecular properties; Packages; Poisson equation; Python; Software development