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 editorsPavlyukh, Yaroslav; Tuovinen, Riku; Perfetto, Enrico; Stefanucci, Gianluca

Journal or seriesPhysica Status Solidi B : Basic Research

ISSN0370-1972

eISSN1521-3951

Publication year2023

Publication date29/12/2023

VolumeEarly View

PublisherWiley-VCH Verlag

Publication countryGermany

Publication languageEnglish

DOIhttps://doi.org/10.1002/pssb.202300504

Publication open accessNot open

Publication channel open access

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

Publication is parallel publishedhttps://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.


Keywordsmolecular physicssolid-state physicssimulationdifferential equationscomputational science

Free keywordsexcited states; generalized Kadanoff-Baym ansatz; nonequilibrium Green’s function theories


Contributing organizations


Ministry reportingYes

Reporting Year2023

JUFO rating1


Last updated on 2024-15-06 at 20:06