樋口克彦（ひぐち　かつひこ）

Katsuhiko Higuchi　　　　English version

 

 

 

所属

　広島大学大学院先進理工系科学研究科

　量子物質科学プログラム　計算物理研究室

 

連絡先

　〒739-8530 広島県 東広島市 鏡山1-3-1

　　広島大学大学院先進理工系科学研究科(量子物質科学プログラム)

　　樋口克彦

　　電話 ：082-424-7016

Fax　：082-424-7014

　　e-mail：ｋhiguchi＠hiroshima-u.ac.jp　（先頭のｋと＠は半角にしてください。）

 

担当講義

物理数学B  (物理科学科1年生後期)

量子力学II  (物理科学科3年生前期)

固体物性論  (大学院先端物質科学研究科)

 

研究概要

第一原理計算理論の適用範囲の拡大を目指し、新しい理論の開発を行っています。また、提唱した理論の有効性を確認するために、計算機を用いた比較的大規模な数値計算も行っています。

キーワード：第一原理計算理論、密度汎関数理論、電子相関、超伝導、磁場下での物性

 

最近の卒業生の研究テーマ（卒業論文、修士論文、博士論文）はこちらをご覧ください。

　　　　詳細は上記連絡先までお気軽にお尋ねください。

 

設備

 

・ワークステーション1    48 cores  (96 processors） 1ノード  メモリ512GB

・ワークステーション2    40 cores  (80 processors） 1ノード  メモリ512GB

・ワークステーション3    24 cores  (48 processors） 1ノード  メモリ512GB

・ワークステーション4    24 cores  (48 processors） 1ノード  メモリ256GB

・ワークステーション5    16 cores  (32 processors） 1ノード  メモリ256GB

・ワークステーション6    12 cores  (12 processors） 6ノード  メモリ48GB/ノード

・ワークステーション7     8 cores  ( 8 processors）  3ノード  メモリ48GB/ノード

・ワークステーション8     8 cores  ( 8 processors）  4ノード  メモリ48GB/ノード

 

最近の著書・総説など

-「密度汎関数法の発展-マテリアルデザインへの応用-」　

樋口克彦他 22名共著（赤井久純，白井光雲編）、シュプリンガージャパン社（2011）（丸善から2012年再販）.

- 密度汎関数理論の発展−拡張された制限つき探索理論−

樋口克彦、樋口雅彦：日本物理学会誌 67, 580 (2012). 

（専門外の人にもわかるようにという要請のもとで書いた記事です。PDFはこちら。）

- Pair density functional theory [Invited paper]

M. Higuchi and K. Higuchi, Computational and Theoretical Chemistry 1003, 91 (2013).

(Special Issue on Density Matrices and Related Techniques, in honor of the late John Coleman)

- Recent Development of the Pair Density Functional Theory [Invited paper]

K. Higuchi and M. Higuchi, Quantum Matter 4, 63 (2015). (Special Issue on Quantum Matter Chemistry)

 

最近の主な研究成果 (Recent papers)

対密度汎関数理論 (Pair Density Functional Theory)

- N-representability of the Jastrow wave function pair density of the lowest-order

K. Higuchi and M. Higuchi, Sci. Rep. 7, 7590 (2017).

- Approximate forms of the pair-density-functional kinetic energy on the basis of a rigorous expression with coupling-constant integration

K. Higuchi and M. Higuchi, Phys. Rev. A. 90, 062511 (2014).

- Scaling method of the pair density functional theory in combination with energy functionals satisfying the virial theorem

: Checking the validity via atomic structure calculations

K. Higuchi and M. Higuchi, Phys. Rev. A 87, 032511 (2013).

- Coupling-constant expression and exact relations for the kinetic energy functional in the pair density functional theory

K. Higuchi and M. Higuchi, Phys. Rev. A 85, 062508 (2012).

- Correction Method for obtaining the variationally best ground-state pair density

M. Higuchi and K. Higuchi, Phys. Rev. A 84, 044502 (2011).

- Computational pair density functional theory: a proposal of the kinetic energy functional

K. Higuchi and M. Higuchi, Phys. Rev. B. 82, 155135 (2010).

- Pair density functional theory utilizing the noninteracting reference system: An effective initial theory

M. Higuchi and K. Higuchi, Phys. Rev. B 78, 125101 (2008).

- Pair density-functional theory by means of the correlated wave function

M. Higuchi and K. Higuchi, Phys. Rev. A 75, 042510 (2007).

 

拡張された制限つき探索理論 (Extended Constrained-Search Theory)

- Sum rules for the exchange-correlation energy functional of the extended constrained-search theory: Application to checking the validity of the vorticity expansion approximation of the current-density functional theory

M. Higuchi and K. Higuchi, Phys. Rev. A. 81, 042505 (2010).

- Exchange-correlation energy functional and virial theorem in the extended constrained-search theory

         K. Higuchi and M. Higuchi, Phys. Rev. B 71, 035116 (2005).

- Arbitrary Choice of Basic Variables in density-functional: II. Illustrative Applications

K. Higuchi and M. Higuchi, Phys. Rev. B 69, 165118 (2004).

- Arbitrary Choice of Basic Variables in density-functional theory: Formalism

M. Higuchi and K. Higuchi, Phys. Rev. B 69, 035113 (2004).

 

超伝導体のための第一原理計算理論 (The first-principles calculation theory for Superconductors)

- First-order normal-to-superconductor phase transition of aluminum in magnetic field by current-density functional theory for superconductors

K. Higuchi and M. Higuchi, Phys. Rev. B 106, 184504 (2022).

- Cluster decomposition principle and two-electron wave function of the Cooper pair in the BCS superconducting state

K. Higuchi and M. Higuchi, J. Phys. Commun.5, 095003 (2021).

- Superconducting gap and attractive interaction between electrons investigated by the current-density functional theory for superconductors

K. Higuchi, N. Matsumoto, Y. Kamijo and M. Higuchi, J. Phys.: Condens. Matter 33, 435602/1-12 (2021).

- Magnetic field and temperature dependence of the superconducting gap through current-density functional theory for superconductors

K. Higuchi, N. Matsumoto, Y. Kamijo and M. Higuchi, Phys. Rev. B 102, 014515 (2020). 

- A Calculation Scheme for the Pair-Density Functional Theory for the Superconductor

K. Higuchi and M. Higuchi, JPS Conf. 30, 011066 (2020).

- Current-Density Functional Theory for the superconductor and Its Exchange-Correlation Energy Functional

K. Higuchi, H. Niwa and M. Higuchi, J. Phys. Soc. Jpn. 86, 104705 (2017).

- Basic variables to be reproduced in the first-principles theory for superconductors: Fluctuation of the particle number

K. Higuchi, E. Miki and M. Higuchi, J. Phys. Soc. Jpn. 86, 064704 (2017).

- Current-Density Functional Theory for a Superconductor

K. Higuchi, K. Koide, T. Imanishi and M. Higuchi, Int. J. Quantum Chem. 113, 709 (2013).

 

交換相関エネルギー汎関数の開発 (Development of Exchange-Correlation Energy Functional)

- Renormalized Møller-Plesset Correlation Energy Functional Used in the Optimized Effective Potential Method

M. Kodera, M. Miyasita, H. Shimizu, K. Higuchi and M. Higuchi, J. Phys. Soc. Jpn. 87, 014302 (2018).

- Kinetic energy contribution to the exchange-correlation energy functional of the extended-constrained search theory

K. Higuchi and M. Higuchi, Phys. Rev. A. 79, 022113 (2009).

- Scheme for calculating the orbital-dependent exchange-correlation potential using the virial theorem: Application to atomic systems

M. Kodera, K. Higuchi, A. Narita and M. Higuchi, Phys. Rev. A. 78, 012501 (2008).

- Evaluation of vorticity expansion approximation of current-density functional theory by means of Levy’s asymptotic bound

M. Higuchi and K. Higuchi, Phys. Rev. B 75, 195114 (2007).

- Vorticity expansion approximation of the exchange and correlation energy functionals in current-density functional theory

K. Higuchi and M. Higuchi, Phys. Rev. B 74, 195122 (2006): Erratum, Phys. Rev. B 75, 159902(E) (2007).

 

磁場下固体のためのエネルギーバンド理論(Energy band theory for crystalline materials immersed in a magnetic field)

- Conventional and unconventional anomalous velocities in multiband systems

     K. Higuchi, W. Sakamoto and M. Higuchi, Phys. Rev. B 110, 205131 (2024).  

- Analytical expression of the magnetic susceptibility in terms of magnetic Bloch state

     K. Higuchi and M. Higuchi, Phys. Rev. B 110, 195136 (2024).

- Quantized Hall conductance in graphene by nonperturbative magnetic-field-containing relativistic tight-binding approximation method　

     Md. A. Rashid, M. Higuchi and K. Higuchi, Phys. Rev. B 108, 125132 (2023).

- Second-order phase transition of silicon from a band insulator to metal induced by strong magnetic fields

     K. Higuchi, D. B. Hamal and M. Higuchi, New J. Phys. 24 103028 (2022).

- Reduction of G-factor due to Rashba Effect in Graphene

A. Shrestha, K. Higuchi, S. Yoshida, and M. Higuchi, J. Appl. Phys. 130, 124303 (2021). 

- Reduced effective g-factor in graphene

M. Higuchi, D. B. Hamal, A. Shrestha and K. Higuchi, J. Phys. Soc. Jpn. 88, 094707 (2019).

- Nonperturbative description of the butterfly diagram of energy spectra for materials immersed in a magnetic field

K. Higuchi, D. B. Hamal and M. Higuchi, Phys. Rev. B 97, 195135 (2018).

- Magnetic breakdown investigated by means of the magnetic-field-containing relativistic tight-binding approximation method

K. Higuchi, D. B. Hamal and M. Higuchi, Phys. Rev. B 96, 235125 (2017).

- Calculations of Magnetic properties of metals through the magnetic-field-containing relativistic tight-binding approximation method

M. Higuchi, D. B. Hamal and K. Higuchi, Phys. Rev. B 95, 195153 (2017).

- Calculation of Magnetic oscillations via the magnetic-field-containing relativistic tight-binding approximation method: Revisit of the de Haas-van Alphen effect

D. B. Hamal, M. Higuchi, and K. Higuchi, Phys. Rev. B. 91, 245101 (2015).

- Relativistic tight-binding approximation method for materials immersed in a uniform magnetic field: Application to crystalline silicon

K. Higuchi, D. B. Hamal and M. Higuchi, Phys. Rev. B 91, 075122 (2015).

 

物質の光学応答のための第一原理計算理論(The first-principles calculation theory for optical responses of materials)

- Time-Dependent Current-Density Functional Theory Taking into Consideration the Effect of the Energy Dissipation

K. Higuchi, Y. Fujie, H. Shimizu and M. Higuchi, Phys. Rev. A 100, 062503 (2019).

 

量子エンタングルメント (Quantum Entanglement)

   - Entanglement entropy of the maximum geminal of the BCS ground state

      Katsuhiko Higuchi, Itsuki Tanno, Ryo Ito and Masahiko Higuchi, J. Phys. Commun. 8, 045003 (2024).

 

量子流体のための第一原理計算理論(The first-principles calculation theory for superfluids)

- Current-density functional theory for bosonic superfluids

T. Aizawa, M. Higuchi and K. Higuchi, J. Phys. Commun. 7, 075003 (2023).

 

 

 

より詳しい情報 (more detailed information)

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