Cheers: A Linear‐Scaling KBE + GKBA Code

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.