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The Journal of Chemical Physics
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May 17, 2013
Communication: explicitly-correlated second-order correction to the correlation energy in the random-phase approximation
Anna-Sophia Hehn, Wim Klopper
The Journal of Chemical Physics
|
May 24, 2015
Explicitly correlated ring-coupled-cluster-doubles theory
Anna-Sophia Hehn, David P Tew, Wim Klopper
The Journal of Chemical Physics
|
February 25, 2025
Perturbative spin-orbit couplings for the simulation of extended framework materials
Jan-Robert Vogt, Jan Wilhelm, Anna-Sophia Hehn
Journal of Chemical Theory and Computation
|
September 18, 2024
Excited-State Forces with the Gaussian and Augmented Plane Wave Method for the Tamm-Dancoff Approximation of Time-Dependent Density Functional Theory
Beliz Sertcan Gökmen, Jürg Hutter, Anna-Sophia Hehn
The Journal of Chemical Physics
|
February 8, 2023
A variational formulation of the Harris functional as a correction to approximate Kohn-Sham density functional theory
Fabian Belleflamme, Anna-Sophia Hehn, Marcella Iannuzzi, et al.
The Journal of Chemical Physics
|
January 17, 2015
Structural evolution of small ruthenium cluster anions
Eugen Waldt, Anna-Sophia Hehn, Reinhart Ahlrichs, et al.
Journal of Chemical Theory and Computation
|
May 21, 2024
Correction to "Excited-State Properties for Extended Systems: Efficient Hybrid Density Functional Methods"
Anna-Sophia Hehn, Beliz Sertcan, Fabian Belleflamme, et al.
Journal of Chemical Theory and Computation
|
June 27, 2022
Excited-State Properties for Extended Systems: Efficient Hybrid Density Functional Methods
Anna-Sophia Hehn, Beliz Sertcan, Fabian Belleflamme, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 21, 2024
Experimental and Theoretical Insights on Gas Trapping of Noble Gases in MFU-4-Type Metal-Organic Frameworks
Hana Bunzen, Beliz Sertcan Gökmen, Andreas Kalytta-Mewes, et al.
The Journal of Physical Chemistry. B
|
January 15, 2026
The CP2K Program Package Made Simple
Marcella Iannuzzi, Jan Wilhelm, Frederick Stein, et al.
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Search research articles
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Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
May 17, 2013
Communication: explicitly-correlated second-order correction to the correlation energy in the random-phase approximation
Anna-Sophia Hehn, Wim Klopper
The Journal of Chemical Physics
|
May 24, 2015
Explicitly correlated ring-coupled-cluster-doubles theory
Anna-Sophia Hehn, David P Tew, Wim Klopper
The Journal of Chemical Physics
|
February 25, 2025
Perturbative spin-orbit couplings for the simulation of extended framework materials
Jan-Robert Vogt, Jan Wilhelm, Anna-Sophia Hehn
Journal of Chemical Theory and Computation
|
September 18, 2024
Excited-State Forces with the Gaussian and Augmented Plane Wave Method for the Tamm-Dancoff Approximation of Time-Dependent Density Functional Theory
Beliz Sertcan Gökmen, Jürg Hutter, Anna-Sophia Hehn
The Journal of Chemical Physics
|
February 8, 2023
A variational formulation of the Harris functional as a correction to approximate Kohn-Sham density functional theory
Fabian Belleflamme, Anna-Sophia Hehn, Marcella Iannuzzi, et al.
The Journal of Chemical Physics
|
January 17, 2015
Structural evolution of small ruthenium cluster anions
Eugen Waldt, Anna-Sophia Hehn, Reinhart Ahlrichs, et al.
Journal of Chemical Theory and Computation
|
May 21, 2024
Correction to "Excited-State Properties for Extended Systems: Efficient Hybrid Density Functional Methods"
Anna-Sophia Hehn, Beliz Sertcan, Fabian Belleflamme, et al.
Journal of Chemical Theory and Computation
|
June 27, 2022
Excited-State Properties for Extended Systems: Efficient Hybrid Density Functional Methods
Anna-Sophia Hehn, Beliz Sertcan, Fabian Belleflamme, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 21, 2024
Experimental and Theoretical Insights on Gas Trapping of Noble Gases in MFU-4-Type Metal-Organic Frameworks
Hana Bunzen, Beliz Sertcan Gökmen, Andreas Kalytta-Mewes, et al.
The Journal of Physical Chemistry. B
|
January 15, 2026
The CP2K Program Package Made Simple
Marcella Iannuzzi, Jan Wilhelm, Frederick Stein, et al.
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of 1