E-LIB Suche - Ergebnisse für: Visscher, Lucas

1

A hybrid quantum algorithm to detect conical intersections:

Koridon, Emiel ; Fraxanet, Joana ; Dauphin, Alexandre...
Quantum. 8 (2024) - p. 1259 , 2024

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

2

Characterization of excited states in time-dependent densit..:

Sen, Souloke ; Senjean, Bruno ; Visscher, Lucas
The Journal of Chemical Physics. 158 (2023) 5 - p. , 2023

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

3

Toward Pair Atomic Density Fitting for Correlation Energies..:

Spadetto, Edoardo ; Philipsen, Pier Herman Theodoor ; Förster, Arno.
Journal of Chemical Theory and Computation. 19 (2023) 5 - p. 1499-1516 , 2023

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

4

Frequency-Dependent Quadratic Response Properties and Two-P..:

Yuan, Xiang ; Halbert, Loïc ; Visscher, Lucas.
Journal of Chemical Theory and Computation. , 2023

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

5

Correction: Automated assessment of redox potentials for dy..:

Belić, Jelena ; Förster, Arno ; Menzel, Jan Paul..
Physical Chemistry Chemical Physics. 25 (2023) 28 - p. 19266-19268 , 2023

Link: https://doi.org/10.1039/..

6

Two-Component GW Calculations: Cubic Scaling Implementation..:

Förster, Arno ; van Lenthe, Erik ; Spadetto, Edoardo.
Journal of Chemical Theory and Computation. 19 (2023) 17 - p. 5958-5976 , 2023

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

7

A Resolution of Identity Technique to Speed up TDDFT with H..:

D'Antoni, Pierpaolo ; Medves, Marco ; Toffoli, Daniele...
The Journal of Physical Chemistry A. 127 (2023) 44 - p. 9244-9257 , 2023

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

8

In Silico Optimization of Charge Separating Dyes for Solar ..:

Menzel, Jan Paul ; Boeije, Yorrick ; Bakker, Tijmen M. A....
ChemSusChem. 15 (2022) 15 - p. , 2022

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

9

CAT: A Compound Attachment Tool for the Construction of Com..:

van Beek, Bas ; Zito, Juliette ; Visscher, Lucas.
Journal of Chemical Information and Modeling. 62 (2022) 22 - p. 5525-5535 , 2022

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

10

Towards the description of charge transfer states in solubi..:

Sen, Souloke ; Visscher, Lucas
Photosynthesis Research. 156 (2022) 1 - p. 39-57 , 2022

Link: https://doi.org/10.1007/..

11

Quasiparticle Self-Consistent GW-Bethe–Salpeter Equation Ca..:

Förster, Arno ; Visscher, Lucas
Journal of Chemical Theory and Computation. 18 (2022) 11 - p. 6779-6793 , 2022

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

12

Assessing MP2 frozen natural orbitals in relativistic corre..:

Yuan, Xiang ; Visscher, Lucas ; Gomes, André Severo Pereira
The Journal of Chemical Physics. 156 (2022) 22 - p. , 2022

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

13

Automated assessment of redox potentials for dyes in dye-se..:

Belić, Jelena ; Förster, Arno ; Menzel, Jan Paul..
Physical Chemistry Chemical Physics. 24 (2022) 1 - p. 197-210 , 2022

Link: https://doi.org/10.1039/..

14

Efficient simulation of resonance Raman spectra with tight-..:

Ashtari-Jafari, Sahar ; Jamshidi, Zahra ; Visscher, Lucas
The Journal of Chemical Physics. 157 (2022) 8 - p. , 2022

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

15

Analytical Nonadiabatic Couplings and Gradients within the ..:

Yalouz, Saad ; Koridon, Emiel ; Senjean, Bruno...
Journal of Chemical Theory and Computation. 18 (2022) 2 - p. 776-794 , 2022

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