Treffer: PyBESTv.1.0.0

Title:
PyBESTv.1.0.0
Authors:
Filip Brzęk, Aleksandra Leszczyk, orcid:0000-0001-9765-, Artur Nowak, Katharina Boguslawski, Dariusz Kędziera, Paweł Tecmer, Piotr Szymon Żuchowski
Publisher Information:
Zenodo
Publication Year:
2020
Collection:
Zenodo
Subject Terms:
open-source quantum chemistry software, PyBEST, pCCD-based methods, CCSD, model Hamiltonians, SAPT0, perturbation theory, orbital entanglement
Document Type:
E-Ressource software
Language:
English
Relation:
https://zenodo.org/records/3925278; oai:zenodo.org:3925278; https://doi.org/10.5281/zenodo.3925278
DOI:
10.5281/zenodo.3925278
Availability:
https://doi.org/10.5281/zenodo.3925278
https://zenodo.org/records/3925278
Rights:
Creative Commons Attribution 4.0 International ; cc-by-4.0 ; https://creativecommons.org/licenses/by/4.0/legalcode
Accession Number:
edsbas.69532289
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.