Performance of the coupled-cluster singles and doubles method applied to two-dimensional quantum dots

Article

关键词: BODY PERTURBATION-THEORY;    ELECTRON CORRELATION;    MONTE-CARLO;    STATES;   

DOI  :  10.1103/PhysRevB.87.035112

来源: SCIE

【 摘 要 】

An implementation of the coupled-cluster single and double excitations (CCSD) method on two-dimensional quantum dots is presented. Advantages and limitations are studied through comparison with other high accuracy approaches, including another CCSD implementation, for up to twelve confined electrons. The possibility to effectively use a very large basis set is found to be an important advantage compared to full configuration interaction implementations. The error in the ground-state energy introduced by truncating at triple excitations is shown to be comparable to the difference between the results from the variation and diffusion Monte Carlo methods. Convergence of the iterative solution of the coupled cluster equations is found for surprisingly weak confinement strengths even when the full electron-electron interaction is treated as a perturbation. The relevance of the omitted excitations is investigated through comparison with full configuration interaction results. DOI: 10.1103/PhysRevB.87.035112

【 授权许可】

Free