报告题目：SDS Family of Methods for Strongly Correlated Electrons

报 告 人：山东大学青岛理论与计算科学研究院  刘文剑教授

报告时间：2023年5月31日(星期三)下午2:30

报告地点：前卫北区科技楼三楼讲学厅314 室

报告摘要：

According to when the static and dynamic components of electron correlation are treated， the available wave function-based correlation methods can be classified into three categories， viz.“static-then-dynamic”,“dynamic-then-static"，and “staticdynamic-static (SDS）”. Herewith we report on a restricted SDS framework, which employs the same number (Np; the number of target states) of primary, secondary and external states for describing the static, dynamic, and again static components of correlation. That is, the secular equation to be diagonalized is of dimension 3Np, irrespective of the numbers of correlated electrons and orbitals. Particular realizations of this framework include SDSPT2,SDSCI, iCl, iCIPT2, iCAS, iCISCF, SOiCl, iCISO,etc. The efficacy of such methods has been well tested against benchmark systems.

报告人简介：刘文剑，国际量子分子科学院院士，英国皇家协会会士，亚太理论与计算化学家协会会士，国际先进材料协会会士，欧洲科学院院士。主要研究方向包括量子电动力学、相对论量子力学，强相关多体理论、含时密度泛函理论、相对论能带理论、相对论核磁性质理论等。曾获国际量子分子科学院奖、德国洪堡基金会 Bessel 奖、亚太理论与计算化学家协会 Pople 奖和Fukui 奖等多项重要奖项。

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