A local MP2 periodic study of crystalline argon

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Abstract

The CRYSCOR code, a computational tool for solving the second-order Møller-Plesset local equations (LMP2) for periodic systems, is used to study and compare the two crystalline Argon structures fee and hep. Binding energies, lattice parameters and bulk moduli are calculated; results are discussed in the framework of the latest experimental and theoretical literature data. © 2008 IOP Publishing Ltd.

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Casassa, S., Halo, M., & Maschio, L. (2008). A local MP2 periodic study of crystalline argon. In Journal of Physics: Conference Series (Vol. 117). Institute of Physics Publishing. https://doi.org/10.1088/1742-6596/117/1/012007

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