STO-3G

The STO-3G is a minimal basis set used in quantum chemistry that contains a simplified representation of atomic orbitals, and it is used to evaluate electron correlation in molecular systems.

Papers using STO-3G (2)

Contextual Subspace Variational Quantum Eigensolver Calculation of the Dissociation Curve of Molecular Nitrogen on a Superconducting Quantum Computer2023Size-consistency and orbital-invariance issues revealed by VQE-UCCSD calculations with the FMO scheme2024