E-LIB Suche - Ergebnisse für: Leon Freitag

1

Influence of the thermal expansion on the surface quality o..:

Hansen, Ole ; Freitag, Leon ; Friebel, Stefan.
Composites Part C: Open Access. 13 (2024) - p. 100428 , 2024

Link: https://doi.org/10.1016/..

2

The Fermionic Quantum Emulator:

Rubin, Nicholas C. ; Gunst, Klaas ; White, Alec...
Quantum. 5 (2021) - p. 568 , 2021

Link: https://doi.org/10.22331..

3

A Density Matrix Renormalization Group Study of the Low‐Lyi..:

Freitag, Leon ; Lindenbauer, Leopold ; Oppel, Markus.
ChemPhysChem. 22 (2021) 22 - p. 2371-2377 , 2021

Link: https://doi.org/10.1002/..

4

The Role of Triplet States in the Photodissociation of a Pl..:

Freitag, Leon ; González, Leticia
The Journal of Physical Chemistry Letters. 12 (2021) 20 - p. 4876-4881 , 2021

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

5

Simplified State Interaction for Matrix Product State Wave ..:

Freitag, Leon ; Baiardi, Alberto ; Knecht, Stefan.
Journal of Chemical Theory and Computation. 17 (2021) 12 - p. 7477-7485 , 2021

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

6

Tailored coupled cluster theory in varying correlation regi..:

Mörchen, Maximilian ; Freitag, Leon ; Reiher, Markus
The Journal of Chemical Physics. 153 (2020) 24 - p. , 2020

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

7

Chemical insights into the electronic structure of Fe(II) p..:

Weser, Oskar ; Freitag, Leon ; Guther, Kai..
International Journal of Quantum Chemistry. 121 (2020) 3 - p. , 2020

Link: https://doi.org/10.1002/..

8

Modern quantum chemistry with [Open]Molcas:

Aquilante, Francesco ; Autschbach, Jochen ; Baiardi, Alberto...
The Journal of Chemical Physics. 152 (2020) 21 - p. , 2020

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

9

OpenMolcas: From Source Code to Insight:

Fdez. Galván, Ignacio ; Vacher, Morgane ; Alavi, Ali...
Journal of Chemical Theory and Computation. 15 (2019) 11 - p. 5925-5964 , 2019

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

10

Approximate Analytical Gradients and Nonadiabatic Couplings..:

Freitag, Leon ; Ma, Yingjin ; Baiardi, Alberto..
Journal of Chemical Theory and Computation. 15 (2019) 12 - p. 6724-6737 , 2019

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

11

Correction to Calculation of Ligand Dissociation Energies i..:

Husch, Tamara ; Freitag, Leon ; Reiher, Markus
Journal of Chemical Theory and Computation. 15 (2019) 7 - p. 4295-4296 , 2019

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

12

Calculation of Ligand Dissociation Energies in Large Transi..:

Husch, Tamara ; Freitag, Leon ; Reiher, Markus
Journal of Chemical Theory and Computation. 14 (2018) 5 - p. 2456-2468 , 2018

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

13

Shedding Light on the Nature of Photoinduced States Formed ..:

Huijser, Annemarie ; Pan, Qing ; van Duinen, David...
The Journal of Physical Chemistry A. 122 (2018) 31 - p. 6396-6406 , 2018

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

14

Assessing Excited State Energy Gaps with Time-Dependent Den..:

Atkins, Andrew J. ; Talotta, Francesco ; Freitag, Leon..
Journal of Chemical Theory and Computation. 13 (2017) 9 - p. 4123-4145 , 2017

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

15

Multireference Perturbation Theory with Cholesky Decomposit..:

Freitag, Leon ; Knecht, Stefan ; Angeli, Celestino.
Journal of Chemical Theory and Computation. 13 (2017) 2 - p. 451-459 , 2017

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