Data from: Hartree–Fock implementation using a Laguerre-based wave function for the ground state and correlation energies of two-electron atoms

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关键词：

quantum chemistry;Hartree Fock (HF) theory;Critical nuclear charge

DOI：

doi:10.5061/dryad.fr34t

摘要：

d by series solution and an analytical form is found for the two-electron integrals. This methodology is used to produce accurate wave functions, energies

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

负责人：

关键词：

Coulomb hole;Intracule Density;Critical nuclear charge for binding;Two-electron systems;Electron Correlation

DOI：

doi:10.5061/dryad.r60sj21

摘要：

and the system with the critical nuclear charge, Z_C, for binding two electrons. The fully-correlated (FC) wavefunction and the Hartree-Fock (HF) wavefunction ar

Data from: Species distributions, quantum theory, and the enhancement of biodiversity measures

负责人：

关键词：

wavefunction;probability;physics;Biogeography;favourability;predictability;uncertainty;Mammals;species occurrence

DOI：

doi:10.5061/dryad.gn6qb

摘要：

d by a wavefunction rather than by a set of locations. We use this to extend the existing concept of "dark diversity", which incorporates into biodiversity metrics