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