Anna-Sophia Hehn - Publications, H-index & Citations | Canyam

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Anna-Sophia Hehn

university of kiel

6H-index

25Paper Count

171Citation Count

Published Papers 12

Publication Date

The CP2K Program Package Made Simple

Journal of Physical Chemistry B

IF2.9

2026-01-01

1

PREAI

Iannuzzi, Marcella; Wilhelm, Jan; Stein, Frederick; Bussy, Augustin; Elgabarty, Hossam; Golze, Dorothea; Hehn, Anna-Sophia; Graml, Maximilian; Marek, Stepan; Goekmen, Beliz Sertcan; Schran, Christoph; Forbert, Harald; Khaliullin, Rustam Z.; Kozhevnikov, Anton; Taillefumier, Mathieu; Meli, Rocco; Rybkin, Vladimir V.; Brehm, Martin; Schade, Robert; Schutt, Ole; Pototschnig, Johann V.; Mirhosseini, Hossein; Knuepfer, Andreas; Marx, Dominik; Krack, Matthias; Hutter, Jurg; Kuehne, Thomas D.

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A Density Functional Theory and Semiempirical Framework for Trajectory Surface Hopping on Extended Systems

Journal of Chemical Theory and Computation

IF5.5

2025-10-17

0

OAAI

Jan-Robert Vogt; Michael Schulz; Rafael Souza Mattos; Mario Barbatti; Maurizio Persico; Giovanni Granucci; Jürg Hutter; Anna Hehn

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Experimental and Theoretical Insights on Gas Trapping of Noble Gases in MFU-4-Type Metal-Organic Frameworks

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2024-12-11

0

OAAI

Bunzen, Hana; Gokmen, Beliz Sertcan; Kalytta-Mewes, Andreas; Grzywa, Maciej; Wojciechowski, Jakub; Hutter, Jurg; Hehn, Anna-Sophia; Volkmer, Dirk

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Excited-State Forces with the Gaussian and Augmented Plane Wave Method for the Tamm-Dancoff Approximation of Time-Dependent Density Functional Theory

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-09-18

1

OAAI

Sertcan Gokmen, Beliz; Hutter, Jurg; Hehn, Anna-Sophia

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Excited-State Properties for Extended Systems: Efficient Hybrid Density Functional Methods (vol 18, pg 4186, 2022)

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-05-21

0

OAAI

Hehn, Anna-Sophia; Sertcan, Beliz; Belleflamme, Fabian; Chulkov, Sergey K.; Watkins, Matthew B.; Hutter, Juerg

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A variational formulation of the Harris functional as a correction to approximate Kohn-Sham density functional theory

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-02-06

2

OAAI

Belleflamme, Fabian; Hehn, Anna-Sophia; Iannuzzi, Marcella; Hutter, Juerg

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Excited-State Properties for Extended Systems: Efficient Hybrid Density Functional Methods

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2022-06-27

24

OAAI

Hehn, Anna-Sophia; Sertcan, Beliz; Belleflamme, Fabian; Chulkov, Sergey K.; Watkins, Matthew B.; Hutter, Juerg

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Structural Phase Transition of Ruthenium Cluster Hydrides

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2020-06-05

6

PREAI

Hehn, Anna-Sophia; Bumueller, Dennis; Klopper, Wim; Kappes, Manfred M.; Schooss, Detlef

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Ruthenium Cluster Structure Change Induced by Hydrogen Adsorption: Ru19-

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2016-12-02

23

PREAI

Bumueller, Dennis; Hehn, Anna-Sophia; Waldt, Eugen; Ahlrichs, Reinhart; Kappes, Manfred M.; Schooss, Detlef

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Explicitly correlated ring-coupled-cluster-doubles theory

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2015-05-18

9

OAAI

Hehn, Anna-Sophia; Tew, David P.; Klopper, Wim

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Structural evolution of small ruthenium cluster anions

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2015-01-13

23

PREAI

Waldt, Eugen; Hehn, Anna-Sophia; Ahlrichs, Reinhart; Kappes, Manfred M.; Schooss, Detlef

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Communication: Explicitly-correlated second-order correction to the correlation energy in the random-phase approximation

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2013-05-10

11

OAAI

Hehn, Anna-Sophia; Klopper, Wim

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