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arXiv 1407.0077cond-mat.str-el
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关联电子的动量相关局域分析方法

Momentum-dependent local ansatz approach to correlated electrons

Yoshiro Kakehashi, Sumal Chandra, Derwyn Rowlands, M. Atiqur R. Patoary

摘要:

波函数方法为我们描述固体中基态电子关联提供了一个有用的工具。本文综述了动量相关的定域安波函数(MLA)的最新发展。它是通过考虑投射到局域轨道上的两粒子激发态来构造的,这些态的动量依赖的振幅被选为变分参数。MLA精确地描述了从弱到中间库仑相互作用制度在无限维的相关电子状态,并通过引入一个新的起始波函数称为混合(HB)波函数,即使在强相关区域也能很好地工作。因此,MLA-HB示出,以克服限制的原始本地animals(LA)波函数以及Gutzwiller波函数。特别是,计算出的准粒子重量与库仑相互作用曲线示出接近的数值重整化群方法得到的。它也表明,MLA是适用于第一性原理哈密顿量。

英文摘要:

The wavefunction method provides us with a useful tool to describe electron correlations in solids at the ground state. In this paper we review the recent development of the momentum-dependent local ansatz wavefunction (MLA). It is constructed by taking into account two-particle excited states projected onto the local orbitals, and the momentum-dependent amplitudes of these states are chosen as variational parameters. The MLA describes accurately correlated electron states from the weak to the intermediate Coulomb interaction regime in infinite dimensions, and works well even in the strongly correlated region by introducing a new starting wavefunction called the hybrid (HB) wavefunction. The MLA-HB is therefore shown to overcome the limitation of the original local ansatz (LA) wavefunction as well as the Gutzwiller wavefunction. In particular, the calculated quasiparticle weight vs Coulomb interaction curve is shown to be close to that obtained by the numerical renormalization group approach. It is also shown that the MLA is applicable to the first-principles Hamiltonian.

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