Quick Navigation
Topics
Quantum Chemistry
Electron correlation effects and spin-liquid state in the Herbertsmithite Kagome lattice
arXiv
Authors: Sam Azadi, Kühne
Year
2024
Paper ID
37148
Status
Preprint
Abstract Read
~2 min
Abstract Words
138
Citations
N/A
Abstract
We employ real-space variational quantum Monte Carlo methods with resonating valence bond many-body wave functions to investigate electron correlation effects in the Kagome system ZnxCu4-xO6. Using three trial wave functions of the Slater-Jastrow type, where (i) only the Jastrow correlation factor is optimized and the orbitals obtained by density functional theory, (ii) both the Jastrow factor and the Slater determinant are optimized, and (iii) additionally the Slater determinant is substituted by an antisymmetrized-geminal power wave function, we analyze static and dynamic correlation energies across concentrations x=0, frac{1}{3}, frac{2}{3}, 1. Our results show that the correlation energy increases with the concentration of Znx. Optimizing the Slater determinant significantly enhances the correlation energy by approximately sim -73(4) mHa per electron. Eventually, the emergence of a quantum spin liquid state driven by a long-range correlation energy is discussed.
Why This Paper Matters
- This paper contributes to the Quantum Chemistry research area in the Quantum Articles archive.
- It adds a 2024 reference point for readers tracking recent quantum research.
- We employ real-space variational quantum Monte Carlo methods with resonating valence bond many-body wave functions to investigate electron correlation effects in the Kagome...
Paper Tools
Become a member to use research tools
Sign in to open papers, visit source links, share, cite, compare, copy DOI links, request category corrections, and build your reading list.
Show Paper arXiv Publisher Share
Cite This Paper
Copy URL
Compare
Copy DOI Add to Reading List
Category Correction Request
Category Correction Request
Help us improve classification quality by proposing a better category. Every request is reviewed by an admin.
Sign in to submit a category correction request for this paper.
Log In to SubmitReferences & Citation Signals
Community Reactions
Quick sentiment from readers on this paper.
Score:
0
Likes: 0
Dislikes: 0
Sign in to react to this paper.
Discussion & Reviews (Moderated)
Average Rating: 0.0 / 5 (0 ratings)
No written reviews yet.