Showing results (1-10 of 193) with videos related to
Sort By:
Pageof 20
Journal of Chemical Theory and Computation|August 14, 2020
FCIQMC-Tailored Distinguishable Cluster ApproachEugenio Vitale, Ali Alavi, Daniel KatsJournal of Chemical Theory and Computation|May 6, 2022
FCIQMC-Tailored Distinguishable Cluster Approach: Open-Shell SystemsEugenio Vitale, Giovanni Li Manni, Ali Alavi, et al.The Journal of Chemical Physics|April 23, 2022
Full configuration interaction quantum Monte Carlo treatment of fragments embedded in a periodic mean fieldEvelin Martine Christlmaier, Daniel Kats, Ali Alavi, et al.The Journal of Chemical Physics|November 21, 2021
Transcorrelated coupled cluster methodsThomas Schraivogel, Aron J Cohen, Ali Alavi, et al.Faraday Discussions|July 29, 2024
Orbital optimisation in xTC transcorrelated methodsDaniel Kats, Evelin M C Christlmaier, Thomas Schraivogel, et al.Journal of Chemical Theory and Computation|January 26, 2019
Role of Valence and Semicore Electron Correlation on Spin Gaps in Fe(II)-PorphyrinsGiovanni Li Manni, Daniel Kats, David P Tew, et al.The Journal of Physical Chemistry. A|March 17, 2022
Spin Purification in Full-CI Quantum Monte Carlo via a First-Order Penalty ApproachOskar Weser, Niklas Liebermann, Daniel Kats, et al.The Journal of Chemical Physics|June 1, 2023
Transcorrelated coupled cluster methods. II. Molecular systemsThomas Schraivogel, Evelin Martine Christlmaier, Pablo López Ríos, et al.The Journal of Chemical Physics|July 6, 2023
xTC: An efficient treatment of three-body interactions in transcorrelated methodsEvelin Martine Christlmaier, Thomas Schraivogel, Pablo López Ríos, et al.The Journal of Chemical Physics|August 25, 2025
Deterministic optimization of Jastrow factorsMaria-Andreea Filip, Evelin Martine Corvid Christlmaier, J Philip Haupt, et al.Pageof 20