论文标题
用超相关的哈密顿的均匀电子气体的扰动计算
Perturbation Calculation of the Uniform Electron Gas with a Transcorrelated Hamiltonian
论文作者
论文摘要
使用与哈密顿超相关的哈密顿量，我们对高密度状态的均匀电子气体进行了许多身体扰动（MBPT）计算。通过使用针对单个决定符Jastrow Ansatz优化的相关因子，将二阶相关能量计算为$ \ frac {1- \ ln2} {π^{2}}} \ ln（r_ {s}） - 0.05075 $。这已经重现了随机相位近似（RPA）结果的确切对数项，而常数项大约比RPA大约$ 7 \％$ $。与RPA方法的密切一致性表明，超相关方法为处理金属系统提供了可行且潜在的有效方法。
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.
