A1 Journal article (refereed)
Cheers : A Linear‐Scaling KBE + GKBA Code (2023)

Pavlyukh, Y., Tuovinen, R., Perfetto, E., & Stefanucci, G. (2023). Cheers : A Linear‐Scaling KBE + GKBA Code. Physica Status Solidi B : Basic Research, Early View. https://doi.org/10.1002/pssb.202300504

JYU authors or editors

Publication details

All authors or editors: Pavlyukh, Yaroslav; Tuovinen, Riku; Perfetto, Enrico; Stefanucci, Gianluca

Journal or series: Physica Status Solidi B : Basic Research

ISSN: 0370-1972

eISSN: 1521-3951

Publication year: 2023

Publication date: 29/12/2023

Volume: Early View

Publisher: Wiley-VCH Verlag

Publication country: Germany

Publication language: English

DOI: https://doi.org/10.1002/pssb.202300504

Publication open access: Not open

Publication channel open access: 

Publication is parallel published (JYX): https://jyx.jyu.fi/handle/123456789/92940

Publication is parallel published: https://arxiv.org/abs/2312.00468

Abstract

The interaction of electrons with quantized phonons and photons underlies the ultrafast dynamics of systems, ranging from molecules to solids, giving rise to a plethora of physical phenomena experimentally accessible using time-resolved techniques. Green's function methods offer an invaluable interpretation tool since scattering mechanisms of growing complexity can be selectively incorporated in the theory. Cheers is a general-purpose nonequilibrium Green's function code that implements virtually all known many-body approximations and is designed for first-principles studies of ultrafast processes in molecular and model solid-state systems. The aims of generality, extensibility, efficiency, and user friendliness of the code are achieved through the underlying theory development and the use of modern software design practices. Herein, the necessity for the creation of such a code is motivated and its design and capabilities are overviewed.

Keywords: molecular physics; solid-state physics; simulation; differential equations; computational science

Free keywords: excited states; generalized Kadanoff-Baym ansatz; nonequilibrium Green’s function theories

Contributing organizations

Ministry reporting: Yes

VIRTA submission year: 2023

JUFO rating: 1