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Published in

American Institute of Physics, The Journal of Chemical Physics, 7(157), p. 074105, 2022

DOI: 10.1063/5.0101776

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Perturbation calculation of the uniform electron gas with a transcorrelated Hamiltonian

Journal article published in 2022 by Hongjun Luo ORCID, Ali Alavi ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

With a transcorrelated Hamiltonian, we perform a many body perturbation calculation on the uniform electron gas in the high density regime. By using a correlation factor optimized for a single determinant Jastrow ansatz, the second order correlation energy is calculated as [Formula: see text]. This already reproduces the exact logarithmic term of the random phase approximation (RPA) result, while the constant term is roughly 7% larger than the RPA one. The close agreement with the RPA method demonstrates that the transcorrelated method offers a viable and potentially efficient method for treating metallic systems.