Transient-estimate Monte Carlo in the two-dimensional electron gas

被引:34
作者
Kwon, Y
Ceperley, DM
Martin, RM
机构
[1] UNIV ILLINOIS, DEPT PHYS, URBANA, IL 61801 USA
[2] UNIV ILLINOIS, NATL CTR SUPERCOMP APPLICAT, URBANA, IL 61801 USA
[3] UNIV ILLINOIS, MAT RES LAB, URBANA, IL 61801 USA
关键词
D O I
10.1103/PhysRevB.53.7376
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Energies of the ground state and low-lying excited states of the two-dimensional electron gas have been calculated by a transient-estimate Monte Carlo method. This is an exact fermion quantum Monte Carlo method that systematically improves upon the results of a variational energy without imposing nodal constraints. We focus upon the density r(s)=1, where our previous variational Monte Carlo calculation found qualitative differences in the effective mass from other theoretical approaches. Starting from a wave function with backflow and two-body correlations, the best trial function in our previous variational study, we find a ground-state energy only very slightly lower than the previously reported backflow fixed-node energy, reinforcing the conclusion that backflow wave functions are quite accurate. The effective mass derived from excitation energies does not differ significantly from the variational Monte Carlo results, giving a value of m*/m=0.93+/-0.01, so we conclude that the effective mass is indeed less than bare electron mass for a range of densities around r(s)=1.
引用
收藏
页码:7376 / 7382
页数:7
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