First-principles prediction of stability and functionality of complex materials
ISSP Activity Report 2021, p. 45-46…続きを読む
Electrochemical Reaction Analysis Using Density Functional Calculation + Implicit Solvation Model
ISSP Activity Report 2019, p. 80-81…続きを読む
First-principles calculations of complex metallic alloy surfaces
ISSP Activity Report 2021, p. 137-138…続きを読む
Systematic analysis of ab initio low-energy effective Hamiltonians for Pd(dmit)2 molecular conductors
ISSP Activity Report 2020, p. 189-190…続きを読む
Ab initio derivation of effective low-energy model of Ca5Ir3O12
ISSP Activity Report 2019, p. 68-69…続きを読む
Calculation of photoelectron angle distribution in the photoexcitation process on the organic molecules adsorbed surface
ISSP Activity Report 2021, p. 143-144…続きを読む
Development of analysis method for molecular crystal surface using wave number space-resolved photoelectron spectroscopy
ISSP Activity Report 2020, p. 180-181…続きを読む
Development of COMPutation ARchive of Exact Diagonalization (COMPARED)
ISSP Activity Report 2021, p. 232…続きを読む
Study on structural elementary excitations at semiconductor surfaces and interfaces
ISSP Activity Report 2021, p. 129…続きを読む
GW + BSE calculation of RIXS spectra by the all-electron mixed basis program, TOMBO
ISSP Activity Report 2021, p. 68…続きを読む