外推法能量方差的一种有效估计方法
An efficient method to evaluate energy variances for extrapolation methods
摘要：
能量方差外推法是将多体计算中的近似能量与相应的能量方差联系起来，通过外推到零方差来推断本征值。该方法需要能量方差的快速评估。对于根据变形斯莱特行列式展开核波函数的多体方法，评估能量方差的最佳方法与单粒子状态数的六次方成比例。我们提出了一种新的方法，它依赖于单粒子轨道的数量和粒子的数量，而不是单粒子状态的数量。作为一个例子，我们讨论的情况下，${}^4He$使用手性N3 LO相互作用的基础上，由多达184个单粒子状态。
英文摘要：
The energy variance extrapolation method consists in relating the approximate energies in many-body calculations to the corresponding energy variances and inferring eigenvalues by extrapolating to zero variance. The method needs a fast evaluation of the energy variances. For many-body methods that expand the nuclear wave functions in terms of deformed Slater determinants, the best available method for the evaluation of energy variances scales with the sixth power of the number of single-particle states. We propose a new method which depends on the number of single-particle orbits and the number of particles rather than the number of single-particle states. We discuss as an example the case of ${}^4He$ using the chiral N3LO interaction in a basis consisting up to 184 single-particle states.
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