Electron correlation in Li+, He, H− and the critical nuclear charge system ZC: energies, densities and Coulomb holes

Autor: Adam L. Baskerville, Andrew W. King, Hazel Cox

Publikováno v: Royal Society Open Science, Vol 6, Iss 1 (2019)

This paper presents high-accuracy correlation energies, intracule densities and Coulomb hole(s) for the lithium cation, helium, hydride ion and the system with the critical nuclear charge, ZC, for binding two electrons. The fully correlated (FC) wave

Externí odkaz: https://doaj.org/article/f2c9a714d6d544ada513e75e0b12fe9c

Electron correlation in Li ⁺ , He, H ^- and the critical nuclear charge system Z C : energies, densities and Coulomb holes.

Autor: Baskerville AL; Department of Chemistry, School of Life Sciences, University of Sussex, Falmer, Brighton BN1 9QJ, UK., King AW; Department of Chemistry, School of Life Sciences, University of Sussex, Falmer, Brighton BN1 9QJ, UK., Cox H; Department of Chemistry, School of Life Sciences, University of Sussex, Falmer, Brighton BN1 9QJ, UK.

Publikováno v: Royal Society open science [R Soc Open Sci] 2019 Jan 09; Vol. 6 (1), pp. 181357. Date of Electronic Publication: 2019 Jan 09 (Print Publication: 2019).