List of works - Takeshi Yoshikawa

Computerized implementation of higher-order electron-correlation methods and their linear-scaling divide-and-conquer extensions.

scientific article published on 10 August 2017

Development of Large-Scale Excited-State Calculations Based on the Divide-and-Conquer Time-Dependent Density Functional Tight-Binding Method

article

Development of an excited-state calculation method for large systems using dynamical polarizability: A divide-and-conquer approach at the time-dependent density functional level

scientific article

Effect of Hartree-Fock exact exchange on intramolecular magnetic coupling constants of organic diradicals.

scientific article published in January 2015

Efficient pole-search algorithm for dynamic polarizability: Toward alternative excited-state calculation for large systems

scientific article published on 5 October 2016

Fast Nonadiabatic Molecular Dynamics via Spin-Flip Time-Dependent Density-Functional Tight-Binding Approach: Application to Nonradiative Relaxation of Tetraphenylethylene with Locked Aromatic Rings

scientific article published on 16 November 2020

Finite-temperature-based time-dependent density-functional theory method for static electron correlation systems

scientific article published on 01 June 2020

GPU-Accelerated Large-Scale Excited-State Simulation Based on Divide-and-Conquer Time-Dependent Density-Functional Tight-Binding

scientific article published on 22 August 2019

Large-Scale Molecular Dynamics Simulation for Ground and Excited States Based on Divide-and-Conquer Long-Range Corrected Density-Functional Tight-Binding Method

scientific article published on 02 March 2020

Large-scale excited-state calculation using dynamical polarizability evaluated by divide-and-conquer based coupled cluster linear response method

scientific article published on 01 January 2020

Linear-scaling self-consistent field calculations based on divide-and-conquer method using resolution-of-identity approximation on graphical processing units.

scientific article

Machine-learned electron correlation model based on correlation energy density at complete basis set limit

scientific article published on 01 July 2019

Machine-learned electron correlation model based on frozen core approximation

scientific article published on 01 November 2020

Novel approach to excited-state calculations of large molecules based on divide-and-conquer method: application to photoactive yellow protein.

scientific article published on 29 April 2013

RAQET: Large-scale two-component relativistic quantum chemistry program package

scientific article published on 20 September 2018

Spin-flip approach within time-dependent density functional tight-binding method: Theory and applications

scientific article published on 27 March 2020

Trajectory Surface Hopping Approach to Condensed-Phase Nonradiative Relaxation Dynamics Using Divide-and-Conquer Spin-Flip Time-Dependent Density-Functional Tight Binding

scientific article published on 13 February 2021

Unveiling controlling factors of the S0/S1 minimum energy conical intersection (2): Application to penalty function method

scientific article published on 01 April 2020

List of works by Takeshi Yoshikawa