E-LIB Suche - Ergebnisse für: Feldmann, Robin

1

Second-Order Self-Consistent Field Algorithms: From Classic..:

Feldmann, Robin ; Baiardi, Alberto ; Reiher, Markus
Journal of Chemical Theory and Computation. 19 (2023) 3 - p. 856-873 , 2023

Link: https://doi.org/10.1021/..

2

Symmetry-Projected Nuclear-Electronic Hartree–Fock: Elimina..:

Feldmann, Robin ; Baiardi, Alberto ; Reiher, Markus
The Journal of Physical Chemistry A. 127 (2023) 42 - p. 8943-8954 , 2023

Link: https://doi.org/10.1021/..

3

Quantum Proton Effects from Density Matrix Renormalization ..:

Feldmann, Robin ; Muolo, Andrea ; Baiardi, Alberto.
Journal of Chemical Theory and Computation. 18 (2022) 1 - p. 234-250 , 2022

Link: https://doi.org/10.1021/..

4

Nuclear-electronic all-particle density matrix renormalizat..:

Muolo, Andrea ; Baiardi, Alberto ; Feldmann, Robin.
The Journal of Chemical Physics. 152 (2020) 20 - p. , 2020

Link: https://doi.org/10.1063/..

5

qcscine/kiwi: Release 1.0.0:

Feldmann, Robin ; Baiardi, Alberto ; Bosia, Francesco.
https://github.com/qcscine/kiwi/tree/1.0.0. , 2023

Link: https://zenodo.org/recor..

6

qcscine/integralevaluator: Release 1.0.0:

Feldmann, Robin ; Baiardi, Alberto ; id_orcid:0 000-0001-9112-8664...
info:eu-repo/semantics/altIdentifier/doi/10.5281/ZENODO.7569657. , 2023

Link: https://hdl.handle.net/2..

7

qcscine/kiwi: Release 1.0.0:

Feldmann, Robin ; Baiardi, Alberto ; id_orcid:0 000-0001-9112-8664...
info:eu-repo/semantics/altIdentifier/doi/10.5281/ZENODO.7569669. , 2023

Link: https://hdl.handle.net/2..

8

qcscine/development-utils: Release 5.1.0:

Csizi, Katja-Sophia ; Feldmann, Robin ; Sobez, Jan-Grimo...
info:eu-repo/semantics/altIdentifier/doi/10.5281/ZENODO.7567608. , 2023

Link: https://hdl.handle.net/2..

9

qcscine/development-utils: Release 7.0.0:

Csizi, Katja-Sophia ; Feldmann, Robin ; Sobez, Jan-Grimo...
https://github.com/qcscine/development-utils/tree/7.0.0. , 2023

Link: https://zenodo.org/recor..

10

qcscine/integralevaluator: Release 1.0.0:

Feldmann, Robin ; Baiardi, Alberto ; Bosia, Francesco.
https://github.com/qcscine/integralevaluator/tree/1.0.0. , 2023

Link: https://zenodo.org/recor..

11

qcscine/utilities: Release 7.0.0:

Baiardi, Alberto ; Bensberg, Moritz ; Bosia, Francesco...
https://github.com/qcscine/utilities/tree/7.0.0. , 2023

Link: https://zenodo.org/recor..

12

qcscine/qcmaquis: Release 3.1.3:

Baiardi, Alberto ; Battaglia, Stefano ; Feldmann, Robin...
https://github.com/qcscine/qcmaquis/tree/release-3.1.3. , 2023

Link: https://zenodo.org/recor..

13

qcscine/development-utils: Release 6.0.0:

Csizi, Katja-Sophia ; Feldmann, Robin ; Sobez, Jan-Grimo...
https://github.com/qcscine/development-utils/tree/6.0.0. , 2023

Link: https://zenodo.org/recor..

14

qcscine/development-utils: Release 7.0.0:

Csizi, Katja-Sophia ; Feldmann, Robin ; Sobez, Jan-Grimo...
info:eu-repo/semantics/altIdentifier/doi/10.5281/ZENODO.7928037. , 2023

Link: https://hdl.handle.net/2..

15

qcscine/utilities: Release 8.0.0:

Baiardi, Alberto ; id_orcid:0 000-0001-9112-8664 ; Bensberg, Moritz...
info:eu-repo/semantics/altIdentifier/doi/10.5281/ZENODO.7928050. , 2023

Link: https://hdl.handle.net/2..