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In this talk, first, I will introduce our activity on developing open-source software packages (mVMC [1], HΦ [2], and RESPACK [3]) for treating strongly correlated electron systems. Combining these software packages, it is now possible to perform fully ab initio (non-empirical) calculations for strongly correlated electron systems. As an example, I will talk about the recent application to the organic solids (β’-X[Pd(dmit)2]2, X represents a cation) [4-6], where the quantum spin liquid behavior is found in X=EtMe3Sb. By deriving and analyzing the ab initio low-energy effective Hamiltonians for all the 9 compounds in β’-X[Pd(dmit)2]2, we have found that the magnetic ordered moment is significantly suppressed around the spin-liquid candidate EtMe3Sb. Using the variational Monte Carlo method, we have also shown that 1D anisotropic quantum spin liquid appears in the effective Hamiltonians of EtMe3Sb. We have demonstrated that the 1D nature of the quantum spin liquid can explain the thermodynamic quantities observed in EtMe3Sb such as large thermal conductivity.

[1] https://www.pasums.issp.u-tokyo.ac.jp/mvmc/en/
[2] https://www.pasums.issp.u-tokyo.ac.jp/hphi/en/
[3] https://sites.google.com/view/kazuma7k6r
[4] T. Misawa, K. Yoshimi, and T. Tsumuraya, Phys. Rev. Research 2, 032072 (R) (2020).
[5] K. Yoshimi, T. Tsumuraya, and T. Misawa, Phys. Rev. Research 3, 033224 (2021).
[6] K. Ido, K. Yoshimi, T. Misawa, and M. Imada, arXiv:2202.07182.

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