• PyBEST

Treffer: PyBEST

Title:
PyBEST
Authors:
Behjou, Saman, orcid:0000-0003-4086-, Brzęk, Filip, Chakraborty, Rahul, Cieślak, Kacper, Dobrowolska, Antonina, Jahani, Seyedehdelaram, Karimi, Zahra, Kopczyński, Michał, Leszczyk, Aleksandra, Nowak, Artur, Pandey, Ram Dhari, Sujkowski, Emil, Świerczyński, Julian, Szczuczko, Julia, Szczuczko, Lena, Ahmadkhani, Somayeh, Boguslawski, Katharina, Brumboiu, Iulia, Gałyńska, Marta, Kędziera, Dariusz, Kriebel, Maximilian, Tecmer, Paweł, Żuchowski, Piotr Szymon
Publisher Information:
Zenodo
Publication Year:
2025
Collection:
Zenodo
Subject Terms:
open-source quantum chemistry software, PyBEST, pCCD-based methods, CCSD, model Hamiltonians, SAPT0, perturbation theory, orbital entanglement, fpCC, tCC, CIS, CID, CISD, IP-pCCD
Document Type:
E-Ressource software
Language:
English
Relation:
https://zenodo.org/records/15570733; oai:zenodo.org:15570733; https://doi.org/10.5281/zenodo.15570733
DOI:
10.5281/zenodo.15570733
Availability:
https://doi.org/10.5281/zenodo.15570733
https://zenodo.org/records/15570733
Rights:
Creative Commons Attribution 4.0 International ; cc-by-4.0 ; https://creativecommons.org/licenses/by/4.0/legalcode
Accession Number:
edsbas.5262F9AC
Database:
BASE

Weitere Informationen

PyBEST is a Pythonic Black-box Electronic Structure Tool, written primarily in the Python programming language with additional parts written in C++ and interfaced using nanobind.