Šç

Katsuhiko Higuchi          “ú–{Œê”Å

 

 

 

Affiliation

@Graduate School of Advanced Sciences of Matter, Hiroshima University

@Department of Quantum Matter

 

Contact information

@Address: Graduate School of Advanced Sciences of Matter, Hiroshima University,

Higashi-Hiroshima 739-8527, Japan

@@Phone@F(+81)82-424-7016

Fax@F(+81)82-424-7014

@@e-mailFkhiguchi_at_hiroshima-u.ac.jp

 

Teaching Classes

Mathematics for Physics B (1Year   Second Semester)

Quantum Mechanics II (3Year   First Semester)

Solid State Physics (Graduate School of Advanced Sciences of Matter (Master))

 

Research Field

Development of a new energy-band theory and its application to solids

KeywordsFFirst-principles calculation, Density functional theory, electron correlation, superconductivity, Energy band in the magnetic field

 

Research Facilities

EWorkstation 1 @ 20 cores (80 processors)  1 node   memory 256GB

EWorkstation 2 @ 12 cores (48 processors)  1 node   memory 256GB

EWorkstation 3 @ 12 cores (12 processors)  6 nodes  memory 48GB/node

EWorkstation 4 @  8 cores ( 8 processors)   3 nodes  memory 48GB/node

EWorkstation 5 @  8 cores ( 8 processors)   4 nodes  memory 48GB/node

 

Recent review articles

- 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)

 

Recent papers

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).

 

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).

 

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).

 

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fs 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).

 

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).

 

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).

 

More detailed information

    Profiles of Faculty and Research Scholars