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Título: | Using a Jacobi–Davidson “Nuclear Orbital” Method for Small Doped 3He Clusters |
Autor: | Lara Castells, María Pilar de CSIC ORCID ; Mitrushchenkov, Alexander O.; Delgado Barrio, Gerardo CSIC ORCID ; Villarreal, Pablo CSIC ORCID | Fecha de publicación: | 27-feb-2009 | Editor: | Springer Nature | Citación: | Few Body Systems 45(2-4): 233-236 (2009) | Resumen: | 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. | Descripción: | 4 pages, 1 figure, 1 table.-- Article based on the presentation by P. Villarreal at the Fifth Workshop on Critical Stability, Erice, Sicily, Oct 13-17, 2008.-- Printed version published May 2009. | Versión del editor: | http://dx.doi.org/10.1007/s00601-009-0035-6 | URI: | http://hdl.handle.net/10261/14438 | DOI: | 10.1007/s00601-009-0035-6 | ISSN: | 0177-7963 | E-ISSN: | 1432-5411 |
Aparece en las colecciones: | (CFMAC-IFF) Artículos |
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