@inproceedings{25b9ec65ef8547a5a432590f4d150cf1,
title = "Towards High Performance Relativistic Electronic Structure Modelling: The EXP-T Program Package",
abstract = "Modern challenges arising in the fields of theoretical and experimental physics require new powerful tools for high-precision electronic structure modelling; one of the most perspective tools is the relativistic Fock space coupled cluster method (FS-RCC). Here we present a new extensible implementation of the FS-RCC method designed for modern parallel computers. The underlying theoretical model, algorithms and data structures are discussed. The performance and scaling features of the implementation are analyzed. The software developed allows to achieve a completely new level of accuracy for prediction of properties of atoms and molecules containing heavy and superheavy nuclei.",
keywords = "Excited electronic states, Heavy element compounds, High performance computing, Relativistic coupled cluster method",
author = "Oleynichenko, \{Alexander V.\} and Andr{\'e}i Zaitsevskii and Ephraim Eliav",
note = "Publisher Copyright: {\textcopyright} 2020, Springer Nature Switzerland AG.; 6th Russian Supercomputing Days, RuSCDays 2020 ; Conference date: 21-09-2020 Through 22-09-2020",
year = "2020",
doi = "10.1007/978-3-030-64616-5\_33",
language = "الإنجليزيّة",
isbn = "9783030646158",
series = "Communications in Computer and Information Science",
publisher = "Springer Science and Business Media Deutschland GmbH",
pages = "375--386",
editor = "Vladimir Voevodin and Sergey Sobolev",
booktitle = "Supercomputing - 6th Russian Supercomputing Days, RuSCDays 2020, Revised Selected Papers",
address = "ألمانيا",
}