Perturbation Calculation of the Uniform Electron Gas with a Transcorrelated Hamiltonian

Abstract

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 $\frac{1-\ln 2}{{\pi }^2}\ln (r_s)-0.05075$. 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.

References in corpus (2)

• Towards efficient and accurate \emph{ab initio} solutions to periodic systems via transcorrelation and coupled cluster theory
• Transcorrelated coupled cluster methods

Cited by in corpus (4)

• Transcorrelated coupled cluster methods. II. Molecular systems
• TC++: First-principles calculation code for solids using the transcorrelated method
• Non-iterative Triples for Transcorrelated Coupled Cluster Theory
• Fully self-consistent optimization of the Jastrow-Slater-type wave function using a similarity-transformed Hamiltonian