Cambridge Open Engage home
What is Cambridge Open Engage?
How to Submit
Browse
About
News [opens in a new tab]

Solid State Quantum Chemistry with ΘΦ (ThetaPhi): Spin-Liquids, Superconductors and Magnetic Superstructures Made Computationally Available

05 February 2021, Version 1
Working Paper
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

The available solid-state electronic-structure codes are devoid of hot topics of physics: incommensurate magnetic, superconducting and spin-liquid electronic states/phases. The temperature dependence of the solutions of electronic problem is not accessible either. These gaps are closed by the proposed ΘΦ (ThetaPhi) package.

Keywords

Superconducting phases, Spin-liquid phases, Spirally ordered magnetic phases, RVB, BCS, electronic structure of crystals

Supplementary weblinks

Title
Description
Actions
Title
Description
Actions
View

Comments

Comments are not moderated before they are posted, but they can be removed by the site moderators if they are found to be in contravention of our Commenting Policy [opens in a new tab] - please read this policy before you post. Comments should be used for scholarly discussion of the content in question. You can find more information about how to use the commenting feature here [opens in a new tab] .
This site is protected by reCAPTCHA and the Google Privacy Policy [opens in a new tab] and Terms of Service [opens in a new tab] apply.

Version History

Feb 05, 2021 Version 1

Version Notes

Submitted to JCC

Metrics

862
401
0
Views
Downloads
Citations

License

CC logo
CC
BY logo
BY
NC logo
NC
ND logo
ND
The content is available under CC BY NC ND 4.0 [opens in a new tab]

DOI

10.26434/chemrxiv.13675831.v1
D O I: 10.26434/chemrxiv.13675831.v1 [opens in a new tab]

Funding

German Research Foundation through the Collaboration Research Grant 761 (Steel ab initio)
Russian Science Foundation, grant No 19-73-10206

Author’s competing interest statement

none

Share