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  5. Evaluation of the applicability of the restricted virtual space(RVS)approach in algebraic diagrammat

Evaluation of the applicability of the restricted virtual space(RVS)approach in algebraic diagrammat

来源 :The 15th ICQC International Congress of Quantum Chemistry(第1 | 被引量 : 0次 | 上传用户：diyidixie00
【摘 要】
：
The applicability of the restricted virtual space(RVS) approach([1]) calculations employing the algebraic diagrammatic construction(ADC) scheme for the polarization propagator up to third order is eva
【作 者】
：
C.Yang A.Dreuw 
【机 构】
：
Interdisciplinary Center for Scientific Computing,Ruprecht-Karls University,Im Neuenheimer Feld 368,
【出 处】
：
The 15th ICQC International Congress of Quantum Chemistry(第1
【发表日期】
：
2015年5期
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The applicability of the restricted virtual space(RVS) approach([1]) calculations employing the algebraic diagrammatic construction(ADC) scheme for the polarization propagator up to third order is evaluated.In the RVS approach not only the core but also a substantial amount of virtual orbitals are discarded within the excitation energy calculations of the energetically lowest lying states.
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