156 citations · 501 across the 18 of their papers we have counts for
19 papers
Theoretical Investigation of Oxygen-Vacancy Diffusion in SrTiO using Neural Network Potentials
Kazutaka Nishiguchi, Ryota Yamamoto, Seiichiro Ten-no
Oxygen-vacancy formation and diffusion play important roles in determining the electronic and atomic transport properties of SrTiO (STO). Accurate analysis of such point defect…
Construction of downfolded Hamiltonians from projective transcorrelation
Seiichiro Ten-no
Projective transcorrelation recovers the short-range electron correlation by a similarity transformation with a geminal function , at the cost of an effective Hamiltonia…
Molecular Dynamics Simulations of SrTiO with Oxygen Vacancies using Neural Network Potentials
Kazutaka Nishiguchi, Ryota Yamamoto, Meguru Yamazaki +4
A precise analysis of point defects in solids requires accurate molecular dynamics (MD) simulations of large-scale systems. However, ab initio MD simulations based on density funct…
Many-Body-Expansion Based on Variational Quantum Eigensolver and Deflation for Dynamical Correlation
Enhua Xu, Yuma Shimomoto, Seiichiro L. Ten-no +1
In this study, we utilize the many-body expansion (MBE) framework to decompose electronic structures into fragments by incrementing the virtual orbitals. Our work aims to accuratel…
Nonunitary projective transcorrelation theory inspired by the F12 ansatz
Seiichiro L. Ten-no
An alternative nonunitary transcorrelation, inspired by the F12 ansatz, is investigated. In contrast to the Jastrow transcorrelation of Boys-Handy, the effective Hamiltonian of thi…
Improved algorithms of quantum imaginary time evolution for ground and excited states of molecular systems
Takashi Tsuchimochi, Yoohee Ryo, Seiichiro L. Ten-no
Quantum imaginary time evolution (QITE) is a recently proposed quantum-classical hybrid algorithm that is guaranteed to reach the lowest state of system. In this study, we present…