spec-org/gfcc

Panyala, Ajay; Aprà, Edoardo; Talirz, Leopold; Kowalski, Karol; Krishnamoorthy, Sriram

doi:10.11578/dc.20221014.1

DOE OSTI · code-94955

spec-org/gfcc

Panyala, Ajay·Aprà, Edoardo·Talirz, Leopold·Kowalski, Karol·Krishnamoorthy, Sriram

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Abstract

Green's Function Coupled Cluster Library SPEC GFCC library enables calculations for spectral functions and binding energies of molecular systems using highly scalable implementation of the Green's function coupled cluster (GFCC) approach

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Panyala, Ajay, Aprà, Edoardo, Talirz, Leopold, Kowalski, Karol, Krishnamoorthy, Sriram. 2022-10-14. spec-org/gfcc. https://doi.org/10.11578/dc.20221014.1

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