Pythonic Black-box Electronic Structure Tool (PyBEST). An open-source Python platform for electronic structure calculations at the interface between chemistry and physics-Reference-Cited by-同舟云学术

Pythonic Black-box Electronic Structure Tool (PyBEST). An open-source Python platform for electronic structure calculations at the interface between chemistry and physics

Published:2021-07 Issue: Volume:264 Page:107933
ISSN:0010-4655
Container-title:Computer Physics Communications
language:en
Short-container-title:Computer Physics Communications

Author:

Boguslawski Katharina^ORCID,Leszczyk Aleksandra,Nowak Artur,Brzęk Filip^ORCID,Żuchowski Piotr Szymon^ORCID,Kędziera Dariusz^ORCID,Tecmer Paweł^ORCID

Funder

Narodowym Centrum Nauki

Ministerstwo Nauki i Szkolnictwa Wyższego

Narodowe Centrum Nauki

Publisher

Elsevier BV

Subject

General Physics and Astronomy,Hardware and Architecture

Reference98 articles.

1. See https://pybind11.readthedocs.io/en/stable/ for more information about the pybind11 project, 2020. (Accessed 1 October 2020).

2. T. Verstraelen, P. Tecmer, F. Heidar-Zadeh, K. Boguslawski, M. Chan, Y. Zhao, T. Kim, S. Vandenbrande, D. Yang, C.E. Gonzlez-Espinoza, et al. Horton 2.0.0, 2015, http://theochem.github.com/horton/. (Accessed 23 September 2020).

3. See https://github.com/theochem/horton for more information about the Horton3 project, 2020. (Accessed 1 October 2020).

4. A New Mean-Field Method Suitable for Strongly Correlated Electrons: Computationally Facile Antisymmetric Products of Nonorthogonal Geminals

5. Efficient description of strongly correlated electrons with mean-field cost

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