E-LIB Suche - Ergebnisse für: Arbuznikov, Alexei V.

1

Toward the Next Generation of Density Functionals: Escaping..:

Kaupp, Martin ; Wodyński, Artur ; Arbuznikov, Alexei V...
Accounts of Chemical Research. 57 (2024) 13 - p. 1815-1826 , 2024

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

2

Strong-correlation density functionals made simple:

Wodyński, Artur ; Arbuznikov, Alexei V. ; Kaupp, Martin
The Journal of Chemical Physics. 158 (2023) 24 - p. , 2023

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

3

DFT exchange: sharing perspectives on the workhorse of quan..:

Teale, Andrew M. ; Helgaker, Trygve ; Savin, Andreas...
Physical Chemistry Chemical Physics. 24 (2022) 47 - p. 28700-28781 , 2022

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

4

Local hybrid functionals augmented by a strong-correlation ..:

Wodyński, Artur ; Arbuznikov, Alexei V. ; Kaupp, Martin
The Journal of Chemical Physics. 155 (2021) 14 - p. , 2021

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

5

Hyperfine-Coupling Tensors from Projected Hartree–Fock Theo..:

Ghassemi Tabrizi, Shadan ; Arbuznikov, Alexei V. ; Jiménez-Hoyos, Carlos A..
Journal of Chemical Theory and Computation. 16 (2020) 10 - p. 6222-6235 , 2020

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

6

A Local Hybrid Functional with Wide Applicability and Good ..:

Haasler, Matthias ; Maier, Toni M. ; Grotjahn, Robin...
Journal of Chemical Theory and Computation. 16 (2020) 9 - p. 5645-5657 , 2020

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

7

Hubbard Trimer with Spin–Orbit Coupling: Hartree–Fock Solut..:

Ghassemi Tabrizi, Shadan ; Arbuznikov, Alexei V. ; Kaupp, Martin
The Journal of Physical Chemistry A. 123 (2019) 12 - p. 2361-2378 , 2019

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

8

Local hybrid functionals: Theory, implementation, and perfo..:

Maier, Toni M. ; Arbuznikov, Alexei V. ; Kaupp, Martin
WIREs Computational Molecular Science. 9 (2018) 1 - p. , 2018

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

9

Exact Mapping from Many‐Spin Hamiltonians to Giant‐Spin Ham..:

Ghassemi Tabrizi, Shadan ; Arbuznikov, Alexei V. ; Kaupp, Martin
Chemistry – A European Journal. 24 (2018) 18 - p. 4689-4702 , 2018

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

10

Validation of local hybrid functionals for TDDFT calculatio..:

Maier, Toni M. ; Bahmann, Hilke ; Arbuznikov, Alexei V..
The Journal of Chemical Physics. 144 (2016) 7 - p. , 2016

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

11

New approaches for the calibration of exchange-energy densi..:

Maier, Toni M. ; Haasler, Matthias ; Arbuznikov, Alexei V..
Physical Chemistry Chemical Physics. 18 (2016) 31 - p. 21133-21144 , 2016

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

12

Understanding Thermodynamic and Spectroscopic Properties of..:

Ghassemi Tabrizi, Shadan ; Arbuznikov, Alexei V. ; Kaupp, Martin
The Journal of Physical Chemistry A. 120 (2016) 34 - p. 6864-6879 , 2016

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

13

Construction of Giant‐Spin Hamiltonians from Many‐Spin Hami..:

Tabrizi, Shadan Ghassemi ; Arbuznikov, Alexei V. ; Kaupp, Martin
Chemistry – A European Journal. 22 (2016) 20 - p. 6853-6862 , 2016

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

14

Gauge effects in local hybrid functionals evaluated for wea..:

Theilacker, Kolja ; Arbuznikov, Alexei V. ; Kaupp, Martin
Molecular Physics. 114 (2016) 7-8 - p. 1118-1127 , 2016

Link: https://doi.org/10.1080/..

15

A Relativistic Quantum-Chemical Analysis of the trans Influ..:

Greif, Anja H. ; Hrobárik, Peter ; Hrobáriková, Veronika...
Inorganic Chemistry. 54 (2015) 15 - p. 7199-7208 , 2015

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