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The Journal of Chemical Physics
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October 27, 2016
Local complete active space second-order perturbation theory using pair natural orbitals (PNO-CASPT2)
Filipe Menezes, Daniel Kats, Hans-Joachim Werner
Journal of Chemical Theory and Computation
|
February 3, 2023
Resolution of Electronic States in Heisenberg Cluster Models within the Unitary Group Approach
Giovanni Li Manni, Daniel Kats, Niklas Liebermann
The Journal of Chemical Physics
|
January 5, 2011
Local CC2 response method for triplet states based on Laplace transform: excitation energies and first-order properties
Katrin Freundorfer, Daniel Kats, Tatiana Korona, et al.
The Journal of Chemical Physics
|
April 23, 2022
Full configuration interaction quantum Monte Carlo treatment of fragments embedded in a periodic mean field
Evelin Martine Christlmaier, Daniel Kats, Ali Alavi, et al.
The Journal of Chemical Physics
|
November 21, 2021
Transcorrelated coupled cluster methods
Thomas Schraivogel, Aron J Cohen, Ali Alavi, et al.
Journal of Chemical Theory and Computation
|
May 6, 2022
FCIQMC-Tailored Distinguishable Cluster Approach: Open-Shell Systems
Eugenio Vitale, Giovanni Li Manni, Ali Alavi, et al.
Journal of Chemical Theory and Computation
|
January 26, 2019
Role of Valence and Semicore Electron Correlation on Spin Gaps in Fe(II)-Porphyrins
Giovanni Li Manni, Daniel Kats, David P Tew, et al.
The Journal of Chemical Physics
|
February 16, 2015
Accurate thermochemistry from explicitly correlated distinguishable cluster approximation
Daniel Kats, David Kreplin, Hans-Joachim Werner, et al.
Faraday Discussions
|
July 29, 2024
Orbital optimisation in xTC transcorrelated methods
Daniel Kats, Evelin M C Christlmaier, Thomas Schraivogel, et al.
The Journal of Physical Chemistry. A
|
March 17, 2022
Spin Purification in Full-CI Quantum Monte Carlo via a First-Order Penalty Approach
Oskar Weser, Niklas Liebermann, Daniel Kats, et al.
Page
of 5
Search research articles
Search
Showing results (21-30 of 50) with videos related to
Sort By:
Page
of 5
The Journal of Chemical Physics
|
October 27, 2016
Local complete active space second-order perturbation theory using pair natural orbitals (PNO-CASPT2)
Filipe Menezes, Daniel Kats, Hans-Joachim Werner
Journal of Chemical Theory and Computation
|
February 3, 2023
Resolution of Electronic States in Heisenberg Cluster Models within the Unitary Group Approach
Giovanni Li Manni, Daniel Kats, Niklas Liebermann
The Journal of Chemical Physics
|
January 5, 2011
Local CC2 response method for triplet states based on Laplace transform: excitation energies and first-order properties
Katrin Freundorfer, Daniel Kats, Tatiana Korona, et al.
The Journal of Chemical Physics
|
April 23, 2022
Full configuration interaction quantum Monte Carlo treatment of fragments embedded in a periodic mean field
Evelin Martine Christlmaier, Daniel Kats, Ali Alavi, et al.
The Journal of Chemical Physics
|
November 21, 2021
Transcorrelated coupled cluster methods
Thomas Schraivogel, Aron J Cohen, Ali Alavi, et al.
Journal of Chemical Theory and Computation
|
May 6, 2022
FCIQMC-Tailored Distinguishable Cluster Approach: Open-Shell Systems
Eugenio Vitale, Giovanni Li Manni, Ali Alavi, et al.
Journal of Chemical Theory and Computation
|
January 26, 2019
Role of Valence and Semicore Electron Correlation on Spin Gaps in Fe(II)-Porphyrins
Giovanni Li Manni, Daniel Kats, David P Tew, et al.
The Journal of Chemical Physics
|
February 16, 2015
Accurate thermochemistry from explicitly correlated distinguishable cluster approximation
Daniel Kats, David Kreplin, Hans-Joachim Werner, et al.
Faraday Discussions
|
July 29, 2024
Orbital optimisation in xTC transcorrelated methods
Daniel Kats, Evelin M C Christlmaier, Thomas Schraivogel, et al.
The Journal of Physical Chemistry. A
|
March 17, 2022
Spin Purification in Full-CI Quantum Monte Carlo via a First-Order Penalty Approach
Oskar Weser, Niklas Liebermann, Daniel Kats, et al.
Page
of 5