Excited Electronic States of Sr₂: Ab Initio Predictions and Experimental Observation of the 2¹Σ_u⁺ State.

ABSTRACT: Despite its apparently simple nature with four valence electrons, the strontium dimer constitutes a challenge for modern electronic structure theory. Here we focus on excited electronic states of Sr₂, which we investigate theoretically up to 25000 cm^-1 above the ground state, to guide and explain new spectroscopic measurements. In particular, we focus on potential energy curves for the 1¹Σ_u⁺, 2¹Σ_u⁺, 1¹Π_u, 2¹Π_u, and 1¹Δ_u states computed using several variants of ab initio coupled-cluster and configuration-interaction methods to benchmark them. In addition, a new experimental study of the excited 2^1</

SUBMITTER: Szczepkowski J 

PROVIDER: S-EPMC10226130 | biostudies-literature | 2023 May

REPOSITORIES: biostudies-literature