一种简单的多体筛选优化和混合算法提高分子体系GW/BSE激发能
A simple many-body based screening optimization and mixing ansatz for improvement of GW/BSE excitation energies of molecular systems
摘要：
我们提出了一个简单的基于多体的筛选混合策略，大大提高性能的Bethe-Salpeter（BS）方法预测的分子系统的激发能。这种策略使我们能够通过最佳地利用抵消效应，几乎再现高度相关的运动方程耦合团簇单双（EOM-CCSD）的结果。
英文摘要：
We propose a simple many-body based screening mixing strategy to considerably enhance the performance of the Bethe-Salpeter (BS) approach for prediction of excitation energies of molecular systems. This strategy enables us to nearly reproduce results of highly correlated equation of motion coupled cluster singles and doubles (EOM-CCSD) through optimal use of cancellation effects.
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