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A theoretical study of molecular positron binding based on a correlation–polarization potential approach combined with position-dependent dielectric density functional theory
Takumi Naito, Daisuke Yoshida, Yukiumi Kita, Masanori Tachikawa, Tomomi Shimazaki
The Journal of Chemical Physics 2026/06/21
DOI：
10.1063/5.0329277
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Halogenation-induced enhancement of positron binding in small hydrocarbons
Miu Ashiba, Daisuke Yoshida, Yukiumi Kita, Tomomi Shimazaki, Toshiyuki Takayanagi, Masanori Tachikawa
The European Physical Journal D 2026/06
DOI：
10.1140/epjd/s10053-026-01194-z
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Solving large-scale eigen problem in quantum few-body system on massive parallel computer
Peer-reviewed
Daisuke Yoshida, Emiko Hayama, Toshiyuki Imamura, Issaku Kanamori, Hideo Matsufuru
SCA/HPCAsiaWS '26: Proceedings of the Supercomputing Asia and International Conference on High Performance Computing in Asia Pacific Region Workshops 133-144 2026/01/25
Publisher:
ACM
DOI：
10.1145/3784828.3785341
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Can single reference density functional theory methods describe spin state crossing for 3d transition metal carbon monoxide association?
Natthakrij Nipanutiyan, Daisuke Yoshida, Kaito Takahashi
Physical Chemistry Chemical Physics 2026
DOI：
10.1039/D5CP04203H
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Effects of Halogenations and Conformational Isomers on Positron Binding in Halogenated Hydrocarbons
Miu Ashiba, Daisuke Yoshida, Yukiumi Kita, Tomomi Shimazaki, Toshiyuki Takayanagi, Masanori Tachikawa
Journal of Computational Chemistry 2025/09/05
DOI：
10.1002/jcc.70217
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Applications of Electron-Positron Correlation-Polarization Potential Method to Positron Binding in Glycine Conformers
Peer-reviewed
Daisuke Yoshida, Makito Takagi, Toshiyuki Takayanagi, Masanori Tachikawa
Solid State Phenomena 374 55-62 2025/07/21
DOI：
10.4028/p-7aqq93
ISSN：
1662-9779
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Stochastic Variational Method as a Machine Learning Approach to Large-Scale Few-Body System Calculations
Shigeyoshi Aoyama, Takayuki Myo, Daisuke Yoshida
Lecture Notes in Computer Science 42-53 2025/06/28
Publisher:
Springer Nature Switzerland
DOI：
10.1007/978-3-031-97606-3_4
ISSN：
0302-9743
eISSN：
1611-3349
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Multistate Transition Metal Carbonyl Bonding Beyond Minimum Energy Pathway: Nonlocality of Spin-Orbit Interaction
Yoshida, D., Takahashi, K.
Inorganic Chemistry 64 (1) 2025/01/13
DOI：
10.1021/acs.inorgchem.4c04568
ISSN：
0020-1669 1520-510X
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Effect of constitutional isomers on positron binding to fluorinated benzenes: applications of the positron-electron correlation-polarization potential approach
Daisuke Yoshida, Toshiyuki Takayanagi, Masanori Tachikawa
13TH INTERNATIONAL WORKSHOP ON POSITRON AND POSITRONIUM CHEMISTRY, PPC-13 3029 2025
DOI：
10.1088/1742-6596/3029/1/012003
ISSN：
1742-6588
eISSN：
1742-6596
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Structural Changes in Alcohol Molecules and Water Hexamers Induced by Positron Attachment
Keita Yamaki, Hayato Yamada, Daisuke Yoshida, Masanori Tachikawa, Toshiyuki Takayanagi
20TH INTERNATIONAL CONFERENCE ON POSITRON ANNIHILATION 3149 2025
DOI：
10.1088/1742-6596/3149/1/012005
ISSN：
1742-6588
eISSN：
1742-6596
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Positron binding in large water clusters: insights into cage-structured systems
Daisuke Yoshida, Toshiyuki Takayanagi, Yukiumi Kita, Tomomi Shimazaki, Masanori Tachikawa
Physical Chemistry Chemical Physics 27 (39) 21253-21260 2025
Publisher:
Royal Society of Chemistry (RSC)
DOI：
10.1039/d5cp02654g
ISSN：
1463-9076
eISSN：
1463-9084
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Applications of the density functional method combined with the electron–positron correlation-polarization potential to positron binding to hydrocarbons and water clusters
Peer-reviewed
Daisuke Yoshida, Toshiyuki Takayanagi, Yukiumi Kita, Tomomi Shimazaki, Masanori Tachikawa
Physical Chemistry Chemical Physics 27 (23) 12171-12181 2025
Publisher:
Royal Society of Chemistry (RSC)
DOI：
10.1039/d5cp00893j
ISSN：
1463-9076
eISSN：
1463-9084
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Multi-component configuration interaction study for positron–molecule compounds: benchmark calculations of positron binding in polar and non-polar molecules
Daisuke Yoshida, Masanori Tachikawa
The European Physical Journal D 78 (1) 2024/01
DOI：
10.1140/epjd/s10053-024-00803-z
ISSN：
1434-6079 1434-6060
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Stability and bonding nature of positronic lithium molecular dianion
Peer-reviewed
Shumpei Ito, Daisuke Yoshida, Yukiumi Kita, Tomomi Shimazaki, Masanori Tachikawa
The Journal of Chemical Physics 158 (20) 2023/05/28
Publisher:
AIP Publishing
DOI：
10.1063/5.0150246
ISSN：
1089-7690 0021-9606
eISSN：
1089-7690
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Theoretical investigations of positron affinities and their structure-dependent properties of carbon dioxide clusters (CO2)n (n = 1–5)
Miku Furushima, Makito Takagi, Daisuke Yoshida, Yukiumi Kita, Tomomi Shimazaki, Masanori Tachikawa
Physical Chemistry Chemical Physics 25 (1) 2023
DOI：
10.1039/D2CP03788B
ISSN：
1463-9076
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Spontaneous radiative dissociation of the second bound state of positronium hydride
Takuma Yamashita, Emiko Hiyama, Daisuke Yoshida, Masanori Tachikawa
Physical Review A 105 (1) 2022/01/20
DOI：
10.1103/PhysRevA.105.012814
ISSN：
2469-9934 2469-9926
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A comprehensive theoretical study of positron binding and annihilation properties of hydrogen bonded binary molecular clusters
Daisuke Yoshida, Yukiumi Kita, Tomomi Shimazaki, Masanori Tachikawa
Physical Chemistry Chemical Physics 24 (43) 2022
DOI：
10.1039/D2CP03813G
ISSN：
1463-9076
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Positron Binding and Annihilation Properties of Amino Acid Systems
Maya Ozaki, Daisuke Yoshida, Yukiumi Kita, Tomomi Shimazaki, Masanori Tachikawa
ACS Omega 6 (44) 29449-29458 2021/11/09
Publisher:
American Chemical Society ({ACS})
DOI：
10.1021/acsomega.1c03409
ISSN：
2470-1343
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Theoretical Study For Positron Binding and Annihilation of Alcohol Clusters
Masanori Tachikawa, Daisuke Yoshida
Few-Body Systems 62 (3) 2021/09
Publisher:
Springer Science and Business Media {LLC}
DOI：
10.1007/s00601-021-01636-x
ISSN：
0177-7963 1432-5411
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Theoretical investigation of the enhancement of positron affinity by the vibration and dimerization of non-polar carbon disulfide
Miku Furushima, Daisuke Yoshida, Yukiumi Kita, Tomomi Shimazaki, Masanori Tachikawa
Physical Chemistry Chemical Physics 23 (38) 2021
Publisher:
Royal Society of Chemistry ({RSC})
DOI：
10.1039/D1CP02808A
ISSN：
1463-9076
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First-principles quantum Monte Carlo studies for prediction of double minima for positronic hydrogen molecular dianion
Shumpei Ito, Daisuke Yoshida, Yukiumi Kita, Masanori Tachikawa
The Journal of Chemical Physics 153 (22) 224305-224305 2020/12/14
Publisher:
{AIP} Publishing
DOI：
10.1063/5.0022673
ISSN：
1089-7690 0021-9606
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Reply to Correspondence on “Core Electron Topologies in Chemical Compounds: Case Study of Carbon versus Silicon”
Daisuke Yoshida, Hannes Raebiger, Ken-ichi Shudo
Angewandte Chemie International Edition 58 (31) 10408-10409 2019/07/29
Publisher:
Wiley
DOI：
10.1002/anie.201906346
ISSN：
1433-7851 1521-3773
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Odd–Even Reactivity Variation Due to Dynamical Effects around the Roaming Saddle Points of the Reaction Between Cn– Chain (n = 2–8) and H2
Daisuke Yoshida, Kaito Takahashi
The Journal of Physical Chemistry A 123 (25) 5300-5308 2019/06/27
Publisher:
American Chemical Society ({ACS})
DOI：
10.1021/acs.jpca.9b03435
ISSN：
1089-5639 1520-5215
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Corrigendum to: Core Electron Topologies in Chemical Compounds: Case Study of Carbon versus Silicon (Angewandte Chemie International Edition, (2018), 57, 24, (7012-7018), 10.1002/anie.201713108)
Yoshida, D., Raebiger, H., Shudo, K.-I., Ohno, K.
Angewandte Chemie - International Edition 58 (31) 10399-10399 2019
DOI：
10.1002/anie.201906348
ISSN：
1521-3773 1433-7851
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Core Electron Topologies in Chemical Compounds: Case Study of Carbon versus Silicon
Daisuke Yoshida, Hannes Raebiger, Ken-ichi Shudo, Koichi Ohno
Angewandte Chemie International Edition 57 (24) 7012-7018 2018/06/11
Publisher:
Wiley
DOI：
10.1002/anie.201713108
ISSN：
1433-7851
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Positron Binding Properties of Glycine and Its Aqueous Complexes
Mikko Nummela, Hannes Raebiger, Daisuke Yoshida, Masanori Tachikawa
The Journal of Physical Chemistry A 120 (23) 4037-4042 2016/06/16
Publisher:
American Chemical Society ({ACS})
DOI：
10.1021/acs.jpca.6b01780
ISSN：
1089-5639 1520-5215
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Erratum: Term rules for simple metal clusters (Scientific Reports (2015) 5:15760 DOI: 10.1038/srep15760)
Yoshida, D., Raebiger, H.
Scientific Reports 6 2016
DOI：
10.1038/srep17982
ISSN：
2045-2322
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Term rules for simple metal clusters
Daisuke Yoshida, Hannes Raebiger
Scientific Reports 5 (1) 2015/12/21
Publisher:
Springer Science and Business Media {LLC}
DOI：
10.1038/srep15760
ISSN：
2045-2322
https://orcid.org/0000-0002-5843-2629