Properties of advanced coupled-cluster Green's function

Peng, Bo; Kowalski, Karol

doi:10.1080/00268976.2017.1351630

Title: Properties of advanced coupled-cluster Green's function

Journal Article · Tue Jan 02 00:00:00 EST 2018 · Molecular Physics

DOI:https://doi.org/10.1080/00268976.2017.1351630· OSTI ID:1756693

Peng, Bo ^[1]; Kowalski, Karol ^[1]

BATTELLE (PACIFIC NW LAB)

We present an extension of the analysis previously applied to the retarded part of the coupled cluster (CC) Green's function to its advanced part. In analogy to our earlier studies for the retarded part, we demonstrate that the advanced CC Green's function is expressed in terms of connected diagrams only, which is a direct consequence of algebraic form of equations satisfied by CC amplitudes. We also demonstrate that omega-derivatives of the advanced CC Green's function can be calculated analytically and can be expressed in terms of connected diagrams only. We analyze the structure of connected diagrams and the role of intermediate operators which satisfy electron affinity equation-of-motion CC type conditions.

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Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE

DOE Contract Number:: AC05-76RL01830

OSTI ID:: 1756693

Report Number(s):: PNNL-SA-125857

Journal Information:: Molecular Physics, Vol. 116, Issue 5-6

Country of Publication:: United States

Language:: English

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