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Start Over Author "de Lara-Castells, M. P." Journal few-body systems
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2. Using a Jacobi–Davidson “Nuclear Orbital” Method for Small Doped 3He Clusters.

Author

de Lara-Castells, M. P., Mitrushchenkov, A. O., Delgado-Barrio, G., and Villarreal, P.

Subjects
CALCULUS of variations, PROPERTIES of matter, NUCLEAR reactions, QUANTUM theory, PHYSICAL & theoretical chemistry
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. [ABSTRACT FROM AUTHOR]

Published
2009
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