PyBERTHART: A Relativistic Real-Time Four-Component TDDFT Implementation Using Prototyping Techniques Based on Python - De Santis, Matteo; Storchi, Loriano; Belpassi, Leonardo; Quiney, Harry M; Tarantelli, Francesco (Journal of chemical theory and computation, 2020)
Keywords: Algorithms; Application programming interface; Computer simulation; Correlation analysis; Density; Dimers; Dipoles; FORTRAN; Harmonic generations; Interoperability; Linear algebra; Mathematical analysis; Matrix methods; Numerical stability; Programming languages; Propagation; Prototyping; Python; Real time; Relativistic effects; Software engineering; Stability; Time dependence