List of works - Kaoru Ohno

A GW+Bethe-Salpeter calculation on photoabsorption spectra of (CdSe)3 and (CdSe)6 clusters

scientific article published in July 2012

A first-principles phase field method for quantitatively predicting multi-composition phase separation without thermodynamic empirical parameter

scientific article published on 01 August 2019

A lattice Monte Carlo simulation of the FePt alloy using a first-principles renormalized four-body interaction

scientific article

A self-consistent GW approach to the van der Waals potential for a helium dimer.

scientific article

A simple derivation of the exact quasiparticle theory and its extension to arbitrary initial excited eigenstates. ⬇️

scientific article published in February 2017

Ab initio molecular dynamics simulation study of successive hydrogenation reactions of carbon monoxide producing methanol.

scientific article

Accurate quasiparticle calculation of x-ray photoelectron spectra of solids

scientific article published on 13 April 2018

Adsorption of O adatoms on hydrogenated Si cluster

scientific article published in July 1998

Atomistic nucleation and growth mechanism for single-wall carbon nanotubes on catalytic nanoparticle surfaces

scientific article published on 22 February 2010

Band structure and chemical bonding inC58BN heterofullerenes

scientific article published on 01 December 1994

Calculations on the magnetic properties of rhodium clusters

scientific article published on 2 January 1995

Carbon Monoxide Hydrogenation on Ice Surfaces

scientific article published on 17 April 2018

Clear evidence for element partitioning effects in a Ti-6Al-4V alloy by the first-principles phase field method

scientific article published on 27 February 2020

Commensurate-incommensurate phase transition in the presence of crystal deformation

scientific article published on 01 December 1994

Continuous mean-field theory of the diffusion-limited-aggregation model

scientific article published on 01 September 1992

Critical behavior of surface-layer magnetization at bulkTc: Extraordinary transition

scientific article published on 01 May 1989

Dimensional Dependence of Electronic Structure of Fullerene Polymers

scientific article published on 01 November 2006

Dynamic model of epitaxial growth in ternary III-V semiconductor alloys

scientific article published on 01 March 1995

Dynamics simulation of a π-conjugated light-harvesting dendrimer

article

Dynamics simulation of a π-conjugated light-harvesting dendrimer II: phenylene-based dendrimer (phDG2)

scientific article published on 20 January 2009

Effect of randomness on surface critical phenomena

scientific article published on 01 September 1992

Effects of molecular orientation on the electronic structure of fccC60

scientific article published on 01 June 1994

Electronic states and stability of selenium clusters

scientific article published on 01 July 1995

Electronic structures ofC60andC70adsorbed on the Cu(111) surface and intramolecular STM images

scientific article published on 01 July 1995

Encapsulation of Carbon Chain Molecules in Single-Walled Carbon Nanotubes

scientific article published on 04 May 2011

Enhanced Electron-Capture Decay Rate ofB7eEncapsulated inC60Cages

scientific article published in Physical Review Letters

Evolution of the electronic structure of Be clusters

scientific article

Exact theories ofm-component quadrupolar systems showing a first-order phase transition

scientific article published on 01 December 1990

Extensive first-principles molecular dynamics study on Li encapsulation into C60 and its experimental confirmation

scientific article published on 8 January 2018

First principles calculations of surface dependent electronic structures: a study on β-FeOOH and γ-FeOOH

scientific article published on 01 August 2019

First-principles T-matrix calculations of double-ionization energy spectra of atoms and molecules

scientific article published in October 2005

First-principles studies on pure and doped C32clusters

scientific article published on 15 February 2001

First-principles study on the atomistic corrosion processes of iron

scientific article

Geometry dependence of electronic and energetic properties of one-dimensional peanut-shaped fullerene polymers

scientific article published on 13 March 2015

Light-harvesting function through one-by-one electron and hole transfer in a methane-lithium system

scientific article published in August 2006

Metallic three-coordinated carbon networks with eight-membered rings showing high density of states at the Fermi level

scientific article published on 12 March 2014

Momentum-dependent band spin splitting in semiconducting MnO2: a density functional calculation.

scientific article published on 27 April 2016

Monte Carlo calculation of second and third virial coefficients of small-scale comb polymers on lattice

scientific article published in April 2007

Quasiparticle energy spectra of alkali-metal clusters: All-electron first-principles calculations

scientific article published on 01 September 2008

Radioactive Decay Speedup atT=5 K: Electron-Capture Decay Rate ofBe7Encapsulated inC60

scientific article published in Physical Review Letters

Relationship between cap structure and energy gap in capped carbon nanotubes

scientific article published in July 2016

Significant Reduction of On-Site Coulomb EnergyU due to Short-Range Correlation in an Organic Mott Insulator

scientific article published on 01 August 2006

Statistics of many-arm star polymers

scientific article published on 01 August 1989

Thermodynamic properties of the Cu-Au system using a face-centered-cubic lattice model with a renormalized potential

scientific article

Two-electron distribution functions and short-range electron correlations of atoms and molecules by first principles T-matrix calculations

scientific article published in September 2006

Validity of virial theorem in all-electron mixed basis density functional, Hartree-Fock, and GW calculations

scientific article published in August 2014

Weakly spin-dependent band structures of antiferromagnetic perovskite LaMO3 (M = Cr, Mn, Fe).

scientific article published on 30 November 2017

Why the all-electron full-potential approach is suitable for calculations on fullerenes and nanotubes?

scientific article published in January 2001

List of works by Kaoru Ohno

A GW+Bethe-Salpeter calculation on photoabsorption spectra of (CdSe)3 and (CdSe)6 clusters

A first-principles phase field method for quantitatively predicting multi-composition phase separation without thermodynamic empirical parameter

A lattice Monte Carlo simulation of the FePt alloy using a first-principles renormalized four-body interaction

A self-consistent GW approach to the van der Waals potential for a helium dimer.

A simple derivation of the exact quasiparticle theory and its extension to arbitrary initial excited eigenstates. ⬇️

Ab initio molecular dynamics simulation study of successive hydrogenation reactions of carbon monoxide producing methanol.

Accurate quasiparticle calculation of x-ray photoelectron spectra of solids

Adsorption of O adatoms on hydrogenated Si cluster

Atomistic nucleation and growth mechanism for single-wall carbon nanotubes on catalytic nanoparticle surfaces

Band structure and chemical bonding inC58BN heterofullerenes

Calculations on the magnetic properties of rhodium clusters

Carbon Monoxide Hydrogenation on Ice Surfaces

Clear evidence for element partitioning effects in a Ti-6Al-4V alloy by the first-principles phase field method

Commensurate-incommensurate phase transition in the presence of crystal deformation

Continuous mean-field theory of the diffusion-limited-aggregation model

Critical behavior of surface-layer magnetization at bulkTc: Extraordinary transition

Dimensional Dependence of Electronic Structure of Fullerene Polymers

Dynamic model of epitaxial growth in ternary III-V semiconductor alloys

Dynamics simulation of a π-conjugated light-harvesting dendrimer

Dynamics simulation of a π-conjugated light-harvesting dendrimer II: phenylene-based dendrimer (phDG2)

Effect of randomness on surface critical phenomena

Effects of molecular orientation on the electronic structure of fccC60

Electronic states and stability of selenium clusters

Electronic structures ofC60andC70adsorbed on the Cu(111) surface and intramolecular STM images

Encapsulation of Carbon Chain Molecules in Single-Walled Carbon Nanotubes

Enhanced Electron-Capture Decay Rate ofB7eEncapsulated inC60Cages

Evolution of the electronic structure of Be clusters

Exact theories ofm-component quadrupolar systems showing a first-order phase transition

Extensive first-principles molecular dynamics study on Li encapsulation into C60 and its experimental confirmation

First principles calculations of surface dependent electronic structures: a study on β-FeOOH and γ-FeOOH

First-principles T-matrix calculations of double-ionization energy spectra of atoms and molecules

First-principles studies on pure and doped C32clusters

First-principles study on the atomistic corrosion processes of iron

Geometry dependence of electronic and energetic properties of one-dimensional peanut-shaped fullerene polymers

Light-harvesting function through one-by-one electron and hole transfer in a methane-lithium system

Metallic three-coordinated carbon networks with eight-membered rings showing high density of states at the Fermi level

Momentum-dependent band spin splitting in semiconducting MnO2: a density functional calculation.

Monte Carlo calculation of second and third virial coefficients of small-scale comb polymers on lattice

Quasiparticle energy spectra of alkali-metal clusters: All-electron first-principles calculations

Radioactive Decay Speedup atT=5 K: Electron-Capture Decay Rate ofBe7Encapsulated inC60

Relationship between cap structure and energy gap in capped carbon nanotubes

Significant Reduction of On-Site Coulomb EnergyU due to Short-Range Correlation in an Organic Mott Insulator

Statistics of many-arm star polymers

Thermodynamic properties of the Cu-Au system using a face-centered-cubic lattice model with a renormalized potential

Two-electron distribution functions and short-range electron correlations of atoms and molecules by first principles T-matrix calculations

Validity of virial theorem in all-electron mixed basis density functional, Hartree-Fock, and GW calculations

Weakly spin-dependent band structures of antiferromagnetic perovskite LaMO3 (M = Cr, Mn, Fe).

Why the all-electron full-potential approach is suitable for calculations on fullerenes and nanotubes?