Abstract
An efficient full configuration-interaction (CI) treatment has been recently developed as a benchmark quantum chemistry (QC) method to study doped 3He N clusters [J Chem Phys 125:221101, 2006]. The method, which uses an iterative Jacobi–Davidson diagonalization algorithm, is applied here to small clusters (N ≤ 4) containing Cl2 as dopant.
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This article is based on the presentation by P. Villarreal at the Fifth Workshop on Critical Stability, Erice, Sicily.
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de Lara-Castells, M.P., Mitrushchenkov, A.O., Delgado-Barrio, G. et al. Using a Jacobi–Davidson “Nuclear Orbital” Method for Small Doped 3He Clusters. Few-Body Syst 45, 233–236 (2009). https://doi.org/10.1007/s00601-009-0035-6
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DOI: https://doi.org/10.1007/s00601-009-0035-6