Perturbation Calculation of the Uniform Electron Gas with a Transcorrelated Hamiltonian
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arXiv
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| Format: | Preprint |
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2022
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| _version_ | 1866911923438616576 |
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| author | Luo, Hongjun Alavi, Ali |
| author_facet | Luo, Hongjun Alavi, Ali |
| contents | 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 $\frac{1-\ln2}{π^{2}}\ln(r_{s})-0.05075$. 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2206_03228 |
| institution | arXiv |
| publishDate | 2022 |
| record_format | arxiv |
| spellingShingle | Perturbation Calculation of the Uniform Electron Gas with a Transcorrelated Hamiltonian Luo, Hongjun Alavi, Ali Computational Physics Quantum Gases 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 $\frac{1-\ln2}{π^{2}}\ln(r_{s})-0.05075$. 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. |
| title | Perturbation Calculation of the Uniform Electron Gas with a Transcorrelated Hamiltonian |
| topic | Computational Physics Quantum Gases |
| url | https://arxiv.org/abs/2206.03228 |