Phys. Rev. Lett. 80, 5293 - 5296 (1998)

Electronic Structure Critical Parameters For the Lithium Isoelectronic Series

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Pablo Serra1,2, Juan Pablo Neirotti1, and Sabre Kais1
1Department of Chemistry, Purdue University, West Lafayette, Indiana 47907
2Facultad de Matemática, Astronomía y Física, Universidad Nacional de Córdoba, Ciudad Universitaria, 5000 Córdoba, Argentina

Received 4 March 1998

The finite-size scaling method is used to calculate the critical parameters for the lithium isoelectronic series. The critical nuclear charge, which is the minimum charge necessary to bind three electrons, for the ground state was found to be Zc≃2. Results show that the analytical behavior of the energy as a function of the nuclear charge for lithium is completely different from that of helium. Analogy with standard phase transitions show that for helium, the transition from a bound state to a continuum is “first order,” while lithium exhibits a “second order phase transition.”


©1998 The American Physical Society

URL: http://link.aps.org/doi/10.1103/PhysRevLett.80.5293
DOI: 10.1103/PhysRevLett.80.5293
PACS: 31.15.-p, 05.70.Jk

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