E-LIB Suche - Ergebnisse für: Hapka, Michał

1

Efficient Calculation of the Dispersion Energy for Multiref..:

Hapka, Michał ; Krzemińska, Agnieszka ; Modrzejewski, Marcin..
The Journal of Physical Chemistry Letters. 14 (2023) 30 - p. 6895-6903 , 2023

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

2

Role of Spin Polarization and Dynamic Correlation in Single..:

Drwal, Daria ; Matousek, Mikulas ; Golub, Pavlo...
Journal of Chemical Theory and Computation. 19 (2023) 21 - p. 7606-7616 , 2023

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

3

Toward more accurate adiabatic connection approach for mult..:

Matoušek, Mikuláš ; Hapka, Michał ; Veis, Libor.
The Journal of Chemical Physics. 158 (2023) 5 - p. , 2023

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

4

TREXIO: A file format and library for quantum chemistry:

Posenitskiy, Evgeny ; Chilkuri, Vijay Gopal ; Ammar, Abdallah...
The Journal of Chemical Physics. 158 (2023) 17 - p. , 2023

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

5

Dispersion Interactions in Exciton-Localized States. Theory..:

Jangrouei, Mohammad Reza ; Krzemińska, Agnieszka ; Hapka, Michał..
Journal of Chemical Theory and Computation. 18 (2022) 6 - p. 3497-3511 , 2022

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

6

An efficient implementation of time-dependent linear-respon..:

Hapka, Michał ; Pernal, Katarzyna ; Jensen, Hans Jørgen Aa.
The Journal of Chemical Physics. 156 (2022) 17 - p. , 2022

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

7

Efficient Adiabatic Connection Approach for Strongly Correl..:

Drwal, Daria ; Beran, Pavel ; Hapka, Michał...
The Journal of Physical Chemistry Letters. 13 (2022) 20 - p. 4570-4578 , 2022

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

8

In pursuit of universality:

Pernal, Katarzyna ; Hapka, Michał
Nature Reviews Chemistry. 5 (2021) 8 - p. 520-521 , 2021

Link: https://doi.org/10.1038/..

9

Dataset of noncovalent intermolecular interaction energy cu..:

Madajczyk, Katarzyna ; Żuchowski, Piotr S. ; Brzȩk, Filip...
The Journal of Chemical Physics. 154 (2021) 13 - p. , 2021

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

10

Range‐separated multiconfigurational density functional the..:

Pernal, Katarzyna ; Hapka, Michał
WIREs Computational Molecular Science. 12 (2021) 2 - p. , 2021

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

11

Density Matrix Renormalization Group with Dynamical Correla..:

Beran, Pavel ; Matoušek, Mikuláš ; Hapka, Michał..
Journal of Chemical Theory and Computation. 17 (2021) 12 - p. 7575-7585 , 2021

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

12

Symmetry-Adapted Perturbation Theory Based on Multiconfigur..:

Hapka, Michał ; Przybytek, Michał ; Pernal, Katarzyna
Journal of Chemical Theory and Computation. 17 (2021) 9 - p. 5538-5555 , 2021

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

13

How Much Dispersion Energy Is Included in the Multiconfigur..:

Hapka, Michał ; Krzemińska, Agnieszka ; Pernal, Katarzyna
Journal of Chemical Theory and Computation. 16 (2020) 10 - p. 6280-6293 , 2020

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

14

Assessment of SAPT(DFT) with meta-GGA functionals:

Hapka, Michał ; Modrzejewski, Marcin ; Chałasiński, Grzegorz.
Journal of Molecular Modeling. 26 (2020) 5 - p. , 2020

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

15

Reduced Density Matrix-Driven Complete Active Apace Self-Co..:

Maradzike, Elvis ; Hapka, Michał ; Pernal, Katarzyna.
Journal of Chemical Theory and Computation. 16 (2020) 7 - p. 4351-4360 , 2020

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