Development, implementation and validation of excited-state gradients for local hybrid functionals
- Weitere Titel
-
Entwicklung, Implementierung und Validierung von Gradienten angeregter Zustände für lokale Hybridfunktionale
- Standort
-
Deutsche Nationalbibliothek Frankfurt am Main
- Umfang
-
Online-Ressource
- Sprache
-
Englisch
- Anmerkungen
-
Berlin, Technische Universität Berlin, Dissertation, 2021
- Ereignis
-
Veröffentlichung
- (wo)
-
Berlin
- (wer)
-
Technische Universität Berlin
- (wann)
-
2021
- Urheber
- Beteiligte Personen und Organisationen
-
Kaupp, Martin
Jacob, Christoph
- DOI
-
10.14279/depositonce-11688
- Handle
-
11303/12887
- URN
-
urn:nbn:de:101:1-2021041402005770401917
- Rechteinformation
-
Der Zugriff auf das Objekt ist unbeschränkt möglich.
- Letzte Aktualisierung
-
14.08.2025, 10:51 MESZ
Datenpartner
Dieses Objekt wird bereitgestellt von:
Deutsche Nationalbibliothek. Bei Fragen zum Objekt wenden Sie sich bitte an den Datenpartner.
Deutsche Nationalbibliothek. Bei Fragen zum Objekt wenden Sie sich bitte an den Datenpartner.
Beteiligte
- Grotjahn, Robin
- Kaupp, Martin
- Jacob, Christoph
- Technische Universität Berlin
Entstanden
- 2021
Ähnliche Objekte (12)
A Look at Real‐World Transition‐Metal Thermochemistry and Kinetics with Local Hybrid Functionals
Kaupp, Martin
Kaupp, Martin
Implementation of modern density functional methods : gradients for local hybrid functionals and SCF for local range-separated hybrid functionals
A Look at Real‐World Transition‐Metal Thermochemistry and Kinetics with Local Hybrid Functionals
Assessment and contributions to local hybrid functionals
Implementation and first evaluation of strong-correlation-corrected local hybrid functionals for the calculation of NMR shieldings and shifts
Development of local hybrid functionals for time-dependent density functional theory
Toward a correct treatment of core properties with local hybrid functionals
The Peculiar Coordination of Brium: Ab Initio Study of the Molecular and Electronic Structures of the Group 2 Dihydride Dimers M2H4 (M=Mg, Ca, Sr, Ba)
The Structure and Stability Trends Fluoro(methyl)plumbanes
Ab Initio Comparision of the (MX2)2 Dimers (m=Zn, Cd, Hg; X F, Cl, H), and Study of Relativistic Effects in Crystalline HgF2
A Look at Real‐World Transition‐Metal Thermochemistry and Kinetics with Local Hybrid Functionals
Kaupp, Martin
Kaupp, Martin
Implementation of modern density functional methods : gradients for local hybrid functionals and SCF for local range-separated hybrid functionals
A Look at Real‐World Transition‐Metal Thermochemistry and Kinetics with Local Hybrid Functionals
Assessment and contributions to local hybrid functionals
Implementation and first evaluation of strong-correlation-corrected local hybrid functionals for the calculation of NMR shieldings and shifts
Development of local hybrid functionals for time-dependent density functional theory
Toward a correct treatment of core properties with local hybrid functionals
The Peculiar Coordination of Brium: Ab Initio Study of the Molecular and Electronic Structures of the Group 2 Dihydride Dimers M2H4 (M=Mg, Ca, Sr, Ba)
The Structure and Stability Trends Fluoro(methyl)plumbanes
Ab Initio Comparision of the (MX2)2 Dimers (m=Zn, Cd, Hg; X F, Cl, H), and Study of Relativistic Effects in Crystalline HgF2
A Look at Real‐World Transition‐Metal Thermochemistry and Kinetics with Local Hybrid Functionals
Kaupp, Martin
Kaupp, Martin
Implementation of modern density functional methods : gradients for local hybrid functionals and SCF for local range-separated hybrid functionals
A Look at Real‐World Transition‐Metal Thermochemistry and Kinetics with Local Hybrid Functionals
Assessment and contributions to local hybrid functionals
Implementation and first evaluation of strong-correlation-corrected local hybrid functionals for the calculation of NMR shieldings and shifts
Development of local hybrid functionals for time-dependent density functional theory
Toward a correct treatment of core properties with local hybrid functionals
The Peculiar Coordination of Brium: Ab Initio Study of the Molecular and Electronic Structures of the Group 2 Dihydride Dimers M2H4 (M=Mg, Ca, Sr, Ba)
The Structure and Stability Trends Fluoro(methyl)plumbanes