Personnel Information


Ohta Katsuhisa

The master's program in charge

Division of Sustainable and Environmental Engineering

The doctoral program in charge

Division of Engineering

The department in charge

Department of Applied Sciences

Job title


Research field 【 display / non-display

  • Quantum Chemistry

Graduate school・Graduate course, etc. 【 display / non-display

  • Kyoto University

    1982,Doctoral program,Graduate School, Division of Engineering,石油化学専攻,Completed

Graduate school・major, etc. 【 display / non-display

  • Kyoto University

    1977,Faculty of Engineering,石油化学科,Graduate

Academic Society 【 display / non-display

  • The Physical Society of Japan

  • The Chemical Society


Books 【 display / non-display

  • Recent Research Developments in Quantum Chemistry

    K.Ohta,Transworld Research Network,Pathanalysis of electron transfer reactions. Electronic flux and canonical collective coordinates,(p.141),2000

  • New Horizons of Quantum Chemistry

    K.Morokuma ・ S.Kato ・ K.Kitaura ・ S.Obara ・ K.Ohta ・ H.Hanamura,Reidel,Potential energy surface of chemical reactions,1983

Papers 【 display / non-display

  • Constraints in the variational principle for stationary states

    Katsuhisa Ohta,Journal of Mathematical Chemistry,vol.56,(p.813 ~ 824),2018.03

  • Gauging away the electron-electron interaction by the local phase of complex wave functions in two-electron systems

    Katsuhisa Ohta ,Journal of Mathematical Chemistry,vol.55,(1),(p.98 ~ 104),2017.01

  • Application of pseudo-diabatic electronic states buried in Hartree-Fock wavefunctions to describe bond dissociation processes

    T. Murakami ・ K. Ohta,Computational and Theoretical Chemistry,vol.1065,(p.1 ~ 6),2015.08

  • Nonsingular constraints in time-dependent variational principle for parametrized wave functions

    Katsuhisa Ohta,International Journal of Quantum Chemistry,vol.113,(2),(p.161 ~ 170),2013.01

  • Intuitive Local Picture for Spin Polarization of Chemical Bonds

    K.Ohta ・ T.Sakai,International Journal of Quantum Chemistry,vol.110,(p.1172 ~ 1187),2009

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Presentaion at conference, meeting, etc. 【 display / non-display

  • Constraints in TDVP


  • Local index of spin polarization of chemical bonds


  • Local index of spin polarization of chemical bonds


  • UHF波動関数における化学結合スピン分極の局所的指標


  • 多中心ラジカル分子のスピン分極に関する理論的研究


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Class subject in charge 【 display / non-display

  • 量子化学


  • 基礎化学


  • 量子化学


  • 分子分光学


  • 基礎化学


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