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The Journal of Chemical Physics
|
December 31, 2020
Tailored coupled cluster theory in varying correlation regimes
Maximilian Mörchen, Leon Freitag, Markus Reiher
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.
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 Physical Chemistry. A
|
September 30, 2024
Complete Active Space Iterative Coupled Cluster Theory
Robin Feldmann, Maximilian Mörchen, Jakub Lang, et al.
The Journal of Physical Chemistry. A
|
August 1, 2025
QCMaquis 4.0: Multipurpose Electronic, Vibrational, and Vibronic Structure and Dynamics Calculations with the Density Matrix Renormalization Group
Kalman Szenes, Nina Glaser, Mihael Erakovic, et al.
The Journal of Physical Chemistry. A
|
October 3, 2024
Heron: Visualizing and Controlling Chemical Reaction Explorations and Networks
Charlotte H Müller, Miguel Steiner, Jan P Unsleber, et al.
The Journal of Chemical Physics
|
March 1, 2023
High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation
Jan P Unsleber, Hongbin Liu, Leopold Talirz, et al.
The Journal of Chemical Physics
|
June 10, 2024
SCINE-Software for chemical interaction networks
Thomas Weymuth, Jan P Unsleber, Paul L Türtscher, et al.
Journal of Chemical Theory and Computation
|
May 22, 2023
The OpenMolcas <i>Web</i>: A Community-Driven Approach to Advancing Computational Chemistry
Giovanni Li Manni, Ignacio Fdez Galván, Ali Alavi, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
December 31, 2020
Tailored coupled cluster theory in varying correlation regimes
Maximilian Mörchen, Leon Freitag, Markus Reiher
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.
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 Physical Chemistry. A
|
September 30, 2024
Complete Active Space Iterative Coupled Cluster Theory
Robin Feldmann, Maximilian Mörchen, Jakub Lang, et al.
The Journal of Physical Chemistry. A
|
August 1, 2025
QCMaquis 4.0: Multipurpose Electronic, Vibrational, and Vibronic Structure and Dynamics Calculations with the Density Matrix Renormalization Group
Kalman Szenes, Nina Glaser, Mihael Erakovic, et al.
The Journal of Physical Chemistry. A
|
October 3, 2024
Heron: Visualizing and Controlling Chemical Reaction Explorations and Networks
Charlotte H Müller, Miguel Steiner, Jan P Unsleber, et al.
The Journal of Chemical Physics
|
March 1, 2023
High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation
Jan P Unsleber, Hongbin Liu, Leopold Talirz, et al.
The Journal of Chemical Physics
|
June 10, 2024
SCINE-Software for chemical interaction networks
Thomas Weymuth, Jan P Unsleber, Paul L Türtscher, et al.
Journal of Chemical Theory and Computation
|
May 22, 2023
The OpenMolcas <i>Web</i>: A Community-Driven Approach to Advancing Computational Chemistry
Giovanni Li Manni, Ignacio Fdez Galván, Ali Alavi, et al.
Page
of 1