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Journal of Chemical Theory and Computation
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February 1, 2023
Ab Initio Static Exchange-Correlation Kernel across Jacob's Ladder without Functional Derivatives
Zhandos Moldabekov, Maximilian Böhme, Jan Vorberger, et al.
The Journal of Chemical Physics
|
July 1, 2022
Effective electronic forces and potentials from ab initio path integral Monte Carlo simulations
Tobias Dornheim, Panagiotis Tolias, Zhandos A Moldabekov, et al.
The Journal of Chemical Physics
|
March 8, 2023
Assessing the accuracy of hybrid exchange-correlation functionals for the density response of warm dense electrons
Zhandos A Moldabekov, Mani Lokamani, Jan Vorberger, et al.
The Journal of Physical Chemistry Letters
|
February 1, 2023
Non-empirical Mixing Coefficient for Hybrid XC Functionals from Analysis of the XC Kernel
Zhandos A Moldabekov, Mani Lokamani, Jan Vorberger, et al.
The Journal of Physical Chemistry Letters
|
January 29, 2024
<i>Ab Initio</i> Path Integral Monte Carlo Simulations of the Uniform Electron Gas on Large Length Scales
Tobias Dornheim, Sebastian Schwalbe, Zhandos A Moldabekov, et al.
Journal of Statistical Physics
|
May 27, 2025
Green's Function Perspective on the Nonlinear Density Response of Quantum Many-Body Systems
Jan Vorberger, Tobias Dornheim, Maximilian P Böhme, et al.
Physical Review Letters
|
December 18, 2020
Effective Static Approximation: A Fast and Reliable Tool for Warm-Dense Matter Theory
Tobias Dornheim, Attila Cangi, Kushal Ramakrishna, et al.
The Journal of Chemical Physics
|
October 27, 2023
Fermionic physics from ab initio path integral Monte Carlo simulations of fictitious identical particles
Tobias Dornheim, Panagiotis Tolias, Simon Groth, et al.
ACS Omega
|
June 17, 2024
Ultrafast Heating-Induced Suppression of <i>d</i>-Band Dominance in the Electronic Excitation Spectrum of Cuprum
Zhandos Moldabekov, Thomas D Gawne, Sebastian Schwalbe, et al.
The Journal of Chemical Physics
|
April 26, 2024
Ab initio path integral Monte Carlo simulations of warm dense two-component systems without fixed nodes: Structural properties
Tobias Dornheim, Sebastian Schwalbe, Maximilian P Böhme, et al.
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Search research articles
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Showing results (21-30 of 39) with videos related to
Sort By:
Page
of 4
Journal of Chemical Theory and Computation
|
February 1, 2023
Ab Initio Static Exchange-Correlation Kernel across Jacob's Ladder without Functional Derivatives
Zhandos Moldabekov, Maximilian Böhme, Jan Vorberger, et al.
The Journal of Chemical Physics
|
July 1, 2022
Effective electronic forces and potentials from ab initio path integral Monte Carlo simulations
Tobias Dornheim, Panagiotis Tolias, Zhandos A Moldabekov, et al.
The Journal of Chemical Physics
|
March 8, 2023
Assessing the accuracy of hybrid exchange-correlation functionals for the density response of warm dense electrons
Zhandos A Moldabekov, Mani Lokamani, Jan Vorberger, et al.
The Journal of Physical Chemistry Letters
|
February 1, 2023
Non-empirical Mixing Coefficient for Hybrid XC Functionals from Analysis of the XC Kernel
Zhandos A Moldabekov, Mani Lokamani, Jan Vorberger, et al.
The Journal of Physical Chemistry Letters
|
January 29, 2024
<i>Ab Initio</i> Path Integral Monte Carlo Simulations of the Uniform Electron Gas on Large Length Scales
Tobias Dornheim, Sebastian Schwalbe, Zhandos A Moldabekov, et al.
Journal of Statistical Physics
|
May 27, 2025
Green's Function Perspective on the Nonlinear Density Response of Quantum Many-Body Systems
Jan Vorberger, Tobias Dornheim, Maximilian P Böhme, et al.
Physical Review Letters
|
December 18, 2020
Effective Static Approximation: A Fast and Reliable Tool for Warm-Dense Matter Theory
Tobias Dornheim, Attila Cangi, Kushal Ramakrishna, et al.
The Journal of Chemical Physics
|
October 27, 2023
Fermionic physics from ab initio path integral Monte Carlo simulations of fictitious identical particles
Tobias Dornheim, Panagiotis Tolias, Simon Groth, et al.
ACS Omega
|
June 17, 2024
Ultrafast Heating-Induced Suppression of <i>d</i>-Band Dominance in the Electronic Excitation Spectrum of Cuprum
Zhandos Moldabekov, Thomas D Gawne, Sebastian Schwalbe, et al.
The Journal of Chemical Physics
|
April 26, 2024
Ab initio path integral Monte Carlo simulations of warm dense two-component systems without fixed nodes: Structural properties
Tobias Dornheim, Sebastian Schwalbe, Maximilian P Böhme, et al.
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of 4