Benchmarking Gaussian Basis Sets in Quantum-Chemical Calculations of Photoabsorption Spectra of Light Atomic Clusters - Mahamiya, Vikram; Bhattacharyya, Pritam; Shukla, Alok (arXiv.org, 2023)
Keywords: Absorption spectra; Atomic clusters; Basis functions; Configuration interaction; Excitation; Lithium; Mathematical analysis; Optical properties; Photoabsorption; Physics - Atomic and Molecular Clusters; Physics - Chemical Physics; Physics - Computational Physics; Physics - Materials Science; Quantum chemistry