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
Development of COMPutation ARchive of Exact Diagonalization (COMPARED)
ISSP Activity Report 2021, p. 232…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
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
Study on structural elementary excitations at semiconductor surfaces and interfaces
ISSP Activity Report 2021, p. 129…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
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
Ab initio derivation of effective low-energy model of Ca5Ir3O12
ISSP Activity Report 2019, p. 68-69…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