Spin-symmetry breaking and hyperfine couplings in transition-metal complexes revisited using density functionals based on the exact-exchange energy density
- Location
-
Deutsche Nationalbibliothek Frankfurt am Main
- Extent
-
Online-Ressource
- Language
-
Englisch
- Bibliographic citation
-
In: Journal of Chemical Theory and Computation (20:5) - Washington, DC : American Chemical Society - S. 2033-2048
- Event
-
Veröffentlichung
- (where)
-
Berlin
- (who)
-
Technische Universität Berlin
- (when)
-
2024
- Creator
-
Wodyński, Artur
Lauw, Bryan
Reimann, Marc
Kaupp, Martin
- DOI
-
10.14279/depositonce-20528
- Handle
-
11303/21727
- URN
-
urn:nbn:de:101:1-2407030203164.016158480383
- Rights
-
Der Zugriff auf das Objekt ist unbeschränkt möglich.
- Last update
-
25.03.2025, 1:48 PM CET
Data provider
This object is provided by:
Deutsche Nationalbibliothek. If you have any questions about the object, please contact the data provider.
Deutsche Nationalbibliothek. If you have any questions about the object, please contact the data provider.
Associated
- Wodyński, Artur
- Lauw, Bryan
- Reimann, Marc
- Kaupp, Martin
- Technische Universität Berlin
Time of origin
- 2024
Other Objects (12)
Orbital functionals in density-matrix- and current-density-functional theory
From Microscopic Interactions to Density Functionals
Orbital dependent functionals in density functional theory
Paramagnetic Na3+4 guest clusters embedded in sodalite hosts : density functional calculations of hyperfine interactions and magnetic couplings
Orbital functionals in time dependent density functional theory
Electronic Couplings from Density Functional Theory: Quantitative Approaches
The bifunctional formalism : an alternative treatment of density functionals
Implementation, development and assessment of local hybrid density functionals
Density-matrix expansions and novel nuclear energy density functionals based on chiral effective field theory
Implementation, parametrization and evaluation of van der Waals density functionals
Development of local hybrid functionals for time-dependent density functional theory
Unbiased evaluation and development of Green's-function-based density-matrix functionals
Orbital functionals in density-matrix- and current-density-functional theory
From Microscopic Interactions to Density Functionals
Orbital dependent functionals in density functional theory
Paramagnetic Na3+4 guest clusters embedded in sodalite hosts : density functional calculations of hyperfine interactions and magnetic couplings
Orbital functionals in time dependent density functional theory
Electronic Couplings from Density Functional Theory: Quantitative Approaches
The bifunctional formalism : an alternative treatment of density functionals
Implementation, development and assessment of local hybrid density functionals
Density-matrix expansions and novel nuclear energy density functionals based on chiral effective field theory
Implementation, parametrization and evaluation of van der Waals density functionals
Development of local hybrid functionals for time-dependent density functional theory
Unbiased evaluation and development of Green's-function-based density-matrix functionals
Orbital functionals in density-matrix- and current-density-functional theory
From Microscopic Interactions to Density Functionals
Orbital dependent functionals in density functional theory
Paramagnetic Na3+4 guest clusters embedded in sodalite hosts : density functional calculations of hyperfine interactions and magnetic couplings
Orbital functionals in time dependent density functional theory
Electronic Couplings from Density Functional Theory: Quantitative Approaches
The bifunctional formalism : an alternative treatment of density functionals
Implementation, development and assessment of local hybrid density functionals
Density-matrix expansions and novel nuclear energy density functionals based on chiral effective field theory
Implementation, parametrization and evaluation of van der Waals density functionals
Development of local hybrid functionals for time-dependent density functional theory