Adiabatic connection in density functional theory in two-dimensions: A semi-analytic wavefunction based study for two-electron atomic systems

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Abstract

This work focuses on studying the adiabatic-connection in density functional theory in two dimensions. It employs a recently developed accurate form of wavefunction for two-electron systems. The explicit semianalytic form of the wavefunction makes it possible to calculate ground state wavefunctions, energies, densities, and the resulting properties for the scaled Coulomb interaction between the electrons at fixed density accurately. The results so obtained for the correlation energies are then used as the reference values for studying the performance of two-dimensional correlation energy functionals.

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Singh, R., Patra, B., Patra, A., Harbola, M. K., & Samal, P. (2019). Adiabatic connection in density functional theory in two-dimensions: A semi-analytic wavefunction based study for two-electron atomic systems. Journal of Chemical Physics, 151(20). https://doi.org/10.1063/1.5120853

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