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Chemistry

D-Index
63
Citations
18135
World Ranking
8293
National Ranking
2399

Overview

So Hirata is affiliated with the University of Illinois at Urbana-Champaign in the United States and works primarily within the field of Physics and Astronomy. Their research spans various specialized subfields, including Atomic and Molecular Physics, and Optics, Materials Chemistry, General Health Professions, Nuclear and High Energy Physics, and Condensed Matter Physics.

The core topics covered by Hirata's research include:

  • Advanced Chemical Physics Studies
  • Quantum, superfluid, helium dynamics
  • Spectroscopy and Quantum Chemical Studies
  • Cold Atom Physics and Bose-Einstein Condensates
  • Nuclear physics research studies
  • Advanced Thermodynamics and Statistical Mechanics
  • Physics of Superconductivity and Magnetism

Hirata has contributed to several peer-reviewed journals, with frequent publications appearing in:

  • The Journal of Chemical Physics
  • arXiv (Cornell University)
  • Molecular Physics
  • Physical Review E
  • Physical Review A/Physical Review, A

Some of the recent papers authored or coauthored by Hirata include:

  • Finite-temperature many-body perturbation theory in the grand canonical ensemble, 2020, The Journal of Chemical Physics
  • Nonconvergence of the Feynman-Dyson diagrammatic perturbation expansion of propagators, 2024, Physical Review A/Physical Review, A

Other relevant works in collaboration include:

  • Finite-temperature many-body perturbation theory in the canonical ensemble, 2020, Physical Review E
  • Grid-based diffusion Monte Carlo for fermions without the fixed-node approximation, 2020, Physical Review E
  • Convergence acceleration of Monte Carlo many-body perturbation methods by direct sampling, 2020, The Journal of Chemical Physics

Hirata has collaborated frequently with several researchers, including:

  • Alexander E. Doran
  • Ireneusz Grabowski
  • Xiuyi Qin
  • Rodney J. Bartlett
  • Julio César Cruz

Best Publications

  • Advances in methods and algorithms in a modern quantum chemistry program package

    Yihan Shao;Laszlo Fusti Molnar;Yousung Jung;Jörg Kussmann

  • Time-dependent density functional theory within the Tamm–Dancoff approximation

    So Hirata;Martin Head-Gordon

  • Q-Chem 2.0: a high-performance ab initio electronic structure program package

    Jing Kong;Christopher A. White;Christopher A. White;Anna I. Krylov;Anna I. Krylov;David Sherrill;David Sherrill

  • NWChem: Past, Present, and Future

    E. Aprà;E. J. Bylaska;W. A. de Jong;N. Govind

  • NWChem: Past, present, and future

    E. Aprà;E. J. Bylaska;W. A. de Jong;N. Govind

  • Time-dependent density functional theory for radicals: An improved description of excited states with substantial double excitation character

    So Hirata;Martin Head-Gordon

  • Tensor Contraction Engine: Abstraction and Automated Parallel Implementation of Configuration-Interaction, Coupled-Cluster, and Many-Body Perturbation Theories

    Unknown

  • Exact exchange treatment for molecules in finite-basis-set kohn-sham theory

    Stanislav Ivanov;So Hirata;Rodney J. Bartlett

  • Excitation Energies from Time-Dependent Density Functional Theory for Linear Polyene Oligomers: Butadiene to Decapentaene

    Chao Ping Hsu;So Hirata;Martin Head-Gordon

  • Synthesis of High-Performance Parallel Programs for a Class of ab Initio Quantum Chemistry Models

    G. Baumgartner;A. Auer;D.E. Bernholdt;A. Bibireata

  • Time-dependent density functional study on the electronic excitation energies of polycyclic aromatic hydrocarbon radical cations of naphthalene, anthracene, pyrene, and perylene

    So Hirata;So Hirata;Timothy J. Lee;Martin Head-Gordon

  • Can optimized effective potentials be determined uniquely

    So Hirata;Stanislav Ivanov;Ireneusz Grabowski;Rodney J. Bartlett

  • Configuration interaction singles, time-dependent Hartree-Fock, and time-dependent density functional theory for the electronic excited states of extended systems

    So Hirata;Martin Head-Gordon;Rodney J. Bartlett

  • Perturbative corrections to coupled-cluster and equation-of-motion coupled-cluster energies: A determinantal analysis

    So Hirata;Marcel Nooijen;Ireneusz Grabowski;Rodney J. Bartlett

  • Combined coupled-cluster and many-body perturbation theories.

    So Hirata;Peng Dong Fan;Alexander A. Auer;Marcel Nooijen

  • The exchange-correlation potential in ab initio density functional theory.

    Rodney J. Bartlett;Ireneusz Grabowski;Ireneusz Grabowski;So Hirata;Stanislav Ivanov

  • Coupled-cluster singles and doubles for extended systems.

    So Hirata;Rafał Podeszwa;Motoi Tobita;Rodney J. Bartlett

  • It Takes More Than an Imine: The Role of the Central Atom on the Electron-Accepting Ability of Benzotriazole and Benzothiadiazole Oligomers

    Dinesh G. Patel;Fude Feng;Yu Ya Ohnishi;Khalil A. Abboud

  • Ab initio density functional theory: OEP-MBPT(2). A new orbital-dependent correlation functional

    Ireneusz Grabowski;So Hirata;Stanislav Ivanov;Rodney J. Bartlett

  • Fast electron correlation methods for molecular clusters in the ground and excited states

    So Hirata;Marat Valiev;Michel Dupuis;Sotiris S. Xantheas

  • Fast electron correlation methods for molecular clusters without basis set superposition errors.

    Muneaki Kamiya;So Hirata;Marat Valiev

Frequent Co-Authors

Rodney J. Bartlett
Rodney J. Bartlett University of Florida
Martin Head-Gordon
Martin Head-Gordon University of California, Berkeley
Marcel Nooijen
Marcel Nooijen University of Waterloo
Xiao He
Xiao He East China Normal University
Robert J. Harrison
Robert J. Harrison Murdoch University
Suehiro Iwata
Suehiro Iwata Keio University
Kwang S. Kim
Kwang S. Kim Ulsan National Institute of Science and Technology
P. Sadayappan
P. Sadayappan University of Utah
Habib N. Najm
Habib N. Najm Sandia National Laboratories

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