• PyBEST

Treffer: PyBEST

Title:
PyBEST
Authors:
Brzęk, Filip, orcid:0000-0003-4086-, Chakraborty, Rahul, Cieślak, Kacper, Jahani, Seyedehdelaram, Leszczyk, Aleksandra, Nowak, Artur, Sujkowski, Emil, Świerczyński, Julian, Ahmadkhani, Somayeh, Boguslawski, Katharina, Kędziera, Dariusz, Kriebel, Maximilian, Tecmer, Paweł, Żuchowski, Piotr Szymon
Contributors:
Kopczyński, Michał, Lena Szczuczko
Publisher Information:
Zenodo
Publication Year:
2023
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/10069179; oai:zenodo.org:10069179; https://doi.org/10.5281/zenodo.10069179
DOI:
10.5281/zenodo.10069179
Availability:
https://doi.org/10.5281/zenodo.10069179
https://zenodo.org/records/10069179
Rights:
Creative Commons Attribution 4.0 International ; cc-by-4.0 ; https://creativecommons.org/licenses/by/4.0/legalcode
Accession Number:
edsbas.90CB712A
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 pybind11.