顔樋口克彦(ひぐち かつひこ)

Katsuhiko Higuchi    English version

 

 

所属

 広島大学大学院先端物質科学研究科

 量子物質科学専攻物質基礎科学講座

 

連絡先

 739-8530 広島県 東広島市 鏡山1-3-1

  広島大学大学院先端物質科学研究科

  樋口克彦

  電話 082-424-7016

Fax :082-424-7014

  e-mail:khiguchihiroshima-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    20 cores  (80 processors 1ノード  メモリ256GB

・ワークステーション2    12 cores  (48 processors 1ノード  メモリ256GB

・ワークステーション3    12 cores  (12 processors 6ノード  メモリ48GB/ノード

・ワークステーション4     8 cores  ( 8 processors  3ノード  メモリ48GB/ノード

・ワークステーション5     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)

- 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)

- 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).

 

 

より詳しい情報 (more detailed information)

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