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The Journal of Chemical Physics
|
February 6, 2008
Topological analysis of electron densities from Kohn-Sham and subsystem density functional theory
Karin Kiewisch, Georg Eickerling, Markus Reiher, et al.
Journal of Chemical Theory and Computation
|
February 17, 2025
Non-iterative Triples for Transcorrelated Coupled Cluster Theory
Maximilian Mörchen, Alberto Baiardi, Michał Lesiuk, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 23, 2013
Unravelling the quantum-entanglement effect of noble gas coordination on the spin ground state of CUO
Paweł Tecmer, Katharina Boguslawski, Örs Legeza, et al.
Journal of Chemical Theory and Computation
|
July 14, 2016
The Delicate Balance of Static and Dynamic Electron Correlation
Christopher J Stein, Vera von Burg, Markus Reiher
The Journal of Physical Chemistry. A
|
November 14, 2018
Exploration of Reaction Pathways and Chemical Transformation Networks
Gregor N Simm, Alain C Vaucher, Markus Reiher
Journal of Chemical Theory and Computation
|
December 14, 2016
A Nonorthogonal State-Interaction Approach for Matrix Product State Wave Functions
Stefan Knecht, Sebastian Keller, Jochen Autschbach, et al.
The Journal of Chemical Physics
|
August 28, 2007
Analytic high-order Douglas-Kroll-Hess electric field gradients
Remigius Mastalerz, Giampaolo Barone, Roland Lindh, et al.
Journal of Computational Chemistry
|
December 19, 2015
Real-time feedback from iterative electronic structure calculations
Alain C Vaucher, Moritz P Haag, Markus Reiher
Faraday Discussions
|
August 2, 2024
Striking the right balance of encoding electron correlation in the Hamiltonian and the wavefunction ansatz
Kalman Szenes, Maximilian Mörchen, Paul Fischill, et al.
The Journal of Chemical Physics
|
January 3, 2016
An efficient matrix product operator representation of the quantum chemical Hamiltonian
Sebastian Keller, Michele Dolfi, Matthias Troyer, et al.
Page
of 27
Search research articles
Search
Showing results (141-150 of 270) with videos related to
Sort By:
Page
of 27
The Journal of Chemical Physics
|
February 6, 2008
Topological analysis of electron densities from Kohn-Sham and subsystem density functional theory
Karin Kiewisch, Georg Eickerling, Markus Reiher, et al.
Journal of Chemical Theory and Computation
|
February 17, 2025
Non-iterative Triples for Transcorrelated Coupled Cluster Theory
Maximilian Mörchen, Alberto Baiardi, Michał Lesiuk, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 23, 2013
Unravelling the quantum-entanglement effect of noble gas coordination on the spin ground state of CUO
Paweł Tecmer, Katharina Boguslawski, Örs Legeza, et al.
Journal of Chemical Theory and Computation
|
July 14, 2016
The Delicate Balance of Static and Dynamic Electron Correlation
Christopher J Stein, Vera von Burg, Markus Reiher
The Journal of Physical Chemistry. A
|
November 14, 2018
Exploration of Reaction Pathways and Chemical Transformation Networks
Gregor N Simm, Alain C Vaucher, Markus Reiher
Journal of Chemical Theory and Computation
|
December 14, 2016
A Nonorthogonal State-Interaction Approach for Matrix Product State Wave Functions
Stefan Knecht, Sebastian Keller, Jochen Autschbach, et al.
The Journal of Chemical Physics
|
August 28, 2007
Analytic high-order Douglas-Kroll-Hess electric field gradients
Remigius Mastalerz, Giampaolo Barone, Roland Lindh, et al.
Journal of Computational Chemistry
|
December 19, 2015
Real-time feedback from iterative electronic structure calculations
Alain C Vaucher, Moritz P Haag, Markus Reiher
Faraday Discussions
|
August 2, 2024
Striking the right balance of encoding electron correlation in the Hamiltonian and the wavefunction ansatz
Kalman Szenes, Maximilian Mörchen, Paul Fischill, et al.
The Journal of Chemical Physics
|
January 3, 2016
An efficient matrix product operator representation of the quantum chemical Hamiltonian
Sebastian Keller, Michele Dolfi, Matthias Troyer, et al.
Page
of 27