Full Breit Hamiltonian in the Multiwavelets Framework-Reference-Cited by-同舟云学术

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Full Breit Hamiltonian in the Multiwavelets Framework

Published:2024-01-01 Issue:2 Volume:20 Page:882-890
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Tantardini Christian¹²^ORCID,Di Remigio Eikås Roberto¹³,Bjørgve Magnar¹,Jensen Stig Rune¹^ORCID,Frediani Luca¹^ORCID

Affiliation:

1. Hylleraas Centre, UiT The Arctic University of Norway, P.O. Box 6050 Langnes, N-9037 Tromsø, Norway

2. Department of Materials Science and NanoEngineering, Rice University, Houston, Texas 77005, United States

3. Algorithmiq Ltd., Kanavakatu 3C, FI-00160 Helsinki, Finland

Funder

Norges Forskningsr?d

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c01056

Reference66 articles.

1. Two-Dimensional Nanocrystals Produced by Exfoliation of Ti3AlC2

2. MXene: a promising transition metal carbide anode for lithium-ion batteries

3. New Two-Dimensional Niobium and Vanadium Carbides as Promising Materials for Li-Ion Batteries

4. Intercalation and delamination of layered carbides and carbonitrides

5. Are MXenes Promising Anode Materials for Li Ion Batteries? Computational Studies on Electronic Properties and Li Storage Capability of Ti3C2 and Ti3C2X2 (X = F, OH) Monolayer

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1. A reason why to use the Gaussian-type-orbital is not suitable for the relativistic calculation of the nuclear-magnetic-resonance spectra with using the restricted magnetic balance;Computational and Theoretical Chemistry;2024-09

2. VAMPyR—A high-level Python library for mathematical operations in a multiwavelet representation;The Journal of Chemical Physics;2024-04-28

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