Perturbation Calculation of the Uniform Electron Gas with a Transcorrelated Hamiltonian

With a transcorrelated Hamiltonian, we perform a many body perturbation (MBPT) calculation on the uniform electron gas in the high density regime. By using a correlation factor optimised for a single determinant Jastrow ansatz, the second order correlation energy is calculated as \(\frac{1-\ln2}{\pi...

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Bibliographic Details
Published inarXiv.org
Main Authors Luo, Hongjun, Alavi, Ali
Format Paper Journal Article
LanguageEnglish
Published Ithaca Cornell University Library, arXiv.org 07.06.2022
Subjects
Correlation coefficients
Electron gas
Mathematical analysis
Perturbation
Physics - Computational Physics
Physics - Quantum Gases
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Summary:With a transcorrelated Hamiltonian, we perform a many body perturbation (MBPT) calculation on the uniform electron gas in the high density regime. By using a correlation factor optimised for a single determinant Jastrow ansatz, the second order correlation energy is calculated as \(\frac{1-\ln2}{\pi^{2}}\ln(r_{s})-0.05075\). 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.
ISSN:2331-8422
DOI:10.48550/arxiv.2206.03228