量子Monte Carlo密度泛函计算中Galilei不变性的精确恢复
Exact restoration of Galilei invariance in density functional calculations with quantum Monte Carlo
摘要:
在采用有效密度依赖核力的自洽平均场计算中,伽利略不变性经常被破坏。我们提出了一种新的方法,基于变分量子蒙特卡罗技术,适合于保持这种对称性,并评估其违反的影响,很少尝试在过去。为此,我们推广的线性优化方法,包括密度依赖的有效哈密顿量,并研究$^4$他,$^{16}$ O,和$^{40}$ Ca基态性质采用Gogny相互作用。
英文摘要:
Galilean invariance is usually violated in self-consistent mean-field calculations that employ effective density-dependent nuclear forces. We present a novel approach, based on variational quantum Monte Carlo techniques, suitable to preserve this symmetry and assess the effect of its violation, seldom attempted in the past. To this aim, we generalize the linear optimization method to encompass the density-dependence of effective Hamiltonians, and study $^4$He, $^{16}$O, and $^{40}$Ca ground-state properties employing the Gogny interaction.
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