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: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 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).
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)