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Wave functions of higher dimensional hydrogen atom. Its algebraic derivation, graphic representation, and physical meaning

Research Project

Project/Area Number 11640497
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Physical chemistry
Research InstitutionOchanomizu University

Principal Investigator

HOSOYA Haruo  Ochanomizu University, Faculty of Science, Professor, 理学部, 教授 (10017204)

Co-Investigator(Kenkyū-buntansha) TOKITA Sumio  Saitama University, Faculty of Engineering, Professor, 大学院・工学研究科, 教授 (20008866)
ASAMOTO Noriko  Ochanomizu University, Faculty of Science, Assoc.Professor, 理学部, 助教授 (90222603)
Project Period (FY) 1999 – 2000
Project Status Completed (Fiscal Year 2000)
Budget Amount *help
¥3,600,000 (Direct Cost: ¥3,600,000)
Fiscal Year 2000: ¥1,800,000 (Direct Cost: ¥1,800,000)
Fiscal Year 1999: ¥1,800,000 (Direct Cost: ¥1,800,000)
Keywordsn-dimensional hydrogen atom / atomic orbital / Schrodinger equation / wavefunction / degeneracy / Pascal's triangle / animation technique / visualization / 可視
Research Abstract

In our previous research we have derived the general formula of the degeneracy of the angular part of the n-dimensional atomic hydrogen wave functions, which can be obtained recursively by simple manipulation of the famous Pascal's triangle. The essence of our findings is in its algebraic and heuristic method without recourse to analytical and sophisticated techniques for solving the Schrodinger equation but from the algebraic relations among the existing analytical solutions.
In this research project 1) we have succeeded in establishing the animation technique for drawing various facets of the cross sections of n-dimensional atomic orbitals projected on the lower dimensional coordinate systems. 2) With this technique a number of cross sections were obtained for ordinary 3-dimensional atomic orbtials of s-, p-, and d-types, which, however, have not been available in the quantum chemistry textbooks. 3) With this experience in mind a number of cross sections of 4-dimensional atomic orbitals were drawn, enabling easy understanding of the analytical and geometrical structure of the atomic orbital wavefunctions of the whole family of the n-dimensional world. 4) By assembling the newly obtained information on the n-dimensional atomic orbitals the secret of the interesting relation between the degeneracy of these orbitals and the asymmetrical Pascal's triangle.
As a whole the obtained results in this research project could provide new and exciting information and insight not only for graduate students but also for active researchers in chemistry and physics.

Report

(3 results)
  • 2000 Annual Research Report   Final Research Report Summary
  • 1999 Annual Research Report
  • Research Products

    (36 results)

All Other

All Publications (36 results)

  • [Publications] S.Tokita,T.Sugiyama,T.Kondo,T.Kikukawa: "Interactive Animation of Hydrogen Atomic Orbitals Using QTVR (Quick Time Virtual Reality)"J.Chemical Software. 5. 129-136 (1999)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] S.Tokita,T.Sugiyama,H.Hosoya: "A Novel Animation of Atomic Orbitals Using QTVR (Quick Time Virtual Reality)"J.Computer Aided Chemistry. 1. 68-75 (2000)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] S.Tokita,F.Kido,T.Sugiyama,H.Hosoya: "A Novel Representation of the Angular Part of Atomic Orbitals"J.Chemical Software. 7. 29-46 (2001)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] S.Tokita,T.Sugiyama: "Interactive Animation to Facilitate Understanding of the Visual Characteristics of Atomic Orbital Wavefunctions"J.Chemical Software. 7. 87-98 (2001)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] S.Tokita,F.Kido,T.Sugiyama,T.Watanabe,N.Tokita,C.Azuma: "A Combination of Various Visualization Methods of Atomic Orbitals and Representation of Their Wave Character"J.Chemical Software. 7(印刷中). (2001)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] H.Hosoya: "Why are there five d-orbitals? Secret of the Pascal's Triangle"Mathematical Science (in Japanese). 39. 67-74 (2001)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] S.Tokita, T.Sugiyama, T.Kondo, T.Kikukawa: "Interactive Animation of Hydrogen Atomic Orbitals Using QTVR (QuickTime Virtual Reality)."J.Chem.Software. 5. 129-136 (1999)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] S.Tokita, T.Sugiyama, H.Hosoya: "A Novel Animation of Atomic Orbitals Using QTVR (QuickTime Virtual Reality)."J.Computer Aided Chemistry. 1. 68-75 (2000)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] S.Tokita, F.Kido, T.Sugiyama, H.Hosoya: "A Novel Representation of the Angular Part of Atomic Orbitals."J.Chem.Software. 7. 29-46 (2001)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] S.Tokita, T.Sugiyama: "Interactive Animation to Facilitate Under-standing of the Visual Characteristics of Atomic Orbital Wavefunctions."J.Chem.Software. 7. 87-98 (2001)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] S.Tokita, F.Kido, T.Sugiyama, T.Watanabe, N.Tokita, C.Azuma: "A Combination of Various Visualization Methods of Atomic Orbitals and Representation of Their Wave Character."J.Chem.Software. 7, (in press). (2001)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] H.Hosoya: "Why are there five d-orbitals? Secret of the Pascal's Triangle."Mathematical Science. 39, (in Japanese). 67-74 (2001)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2000 Final Research Report Summary
  • [Publications] Y.Maruyama,K.Satoh,H.Hosoya: "Tables of Cartesian Coordinates of Semiregular Polyhedra and Two Rhombic Polyhedra"Natl.Sci.Rept.Ochanomizu University. 51. 45-80 (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] H.Hosoya,Y.Maruyama: "Efficient Generation of the Cartesian Coordinates of Truncated Icosahedron and Related Polyhedra"J.Molecular Graphics and Modelling. 19(印刷中). (2001)

    • Related Report
      2000 Annual Research Report
  • [Publications] H.Hoosya,S.Iwata,M.Murokoshi,M.Atsumi: "Graph-Theoretical Analysis of Tunneling Electron Transfer in Large Polycyclic Aromatic Hydrocarbon Networks"J.Chem.Inf.Comput.Sci.. 41(印刷中). (2001)

    • Related Report
      2000 Annual Research Report
  • [Publications] H.Hosoya,K.Ohta,M.Satomi: "Topological Twin Graphs II. Isospectral Polyhedral Graphs with Nine and TenVertices"MATCH. (印刷中). (2001)

    • Related Report
      2000 Annual Research Report
  • [Publications] H.Hosoya,Y.-D.Gao: "Mathematical and Chemical Analysis of the Wiener's Polarity Number"J.Chem.Inf.Comput.Sci.. 41(印刷中). (2001)

    • Related Report
      2000 Annual Research Report
  • [Publications] S.Tokita,K.Nagahama,F.Watanabe: "Molecular Desigen for Low Radiation Dose Detection with Functional Dyes"J.Photopoly.Sci.Technol.. 13. 187-190 (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] 時田澄男,木戸冬子,杉山孝雄,細矢治夫: "原子軌道の角部分に関する新しい可視化方法の研究"J.Chem.Software. 7. 29-46 (2001)

    • Related Report
      2000 Annual Research Report
  • [Publications] 時田澄男,榊茂好: "「経験的および半経験的分子軌道法」時田ら編,季刊化学総説,高精度分子設計と新素材開発,第2章第1節"学会出版センター. 65-87 (2000)

    • Related Report
      2000 Annual Research Report
  • [Publications] H.Hosoya,M.Gotoh,M.Murakami,S.Ikeda: "Topological Index and Thermodynamic Properties. 5. How Can We Explain the Topological Dependency of Thermodynamic Properties of Alkanes with the Topology of Graphs?"J. Chem. Inf. Comput. Sci.. 39. 192-196 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] H.Hosoya: "Mathematical Foundation of the Organic Electron Theory --How Do p-Electrons Flow in Conjugated Systems?"J. Mol. Struct. (THEOCHEM). 461-462. 473-482 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] H.Hosoya,S.Iwata: "Revisiting Superdelocalizability. Mathematical Stability of Reactivity Indices"Theor. Chem. Acc.. 102. 293-299 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] Y.Takeuchi,H.Hosoya,H.Yoshida,M.Ito: "Virtual Chemical Education-Novel Teaching Materials by Means of the Internet"Pure Appl. Chem.. 71. 825-834 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] H.Matsuzawa,S.Yabushita,H.Hosoya 他11名: "Quantum Chemistry Literature Data Base. Supplement 18. Bibliography of ab initio Calculations for 1998"J. Mol. Struct. (THEOCHEM). 494-495. 1-878 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] H.Hosoya,Y.Maruyama: "Efficient Generation of the Cartesian Coordinates of Truncated Icosahedron and Related Polyhedra"J. Mol. Graph. Model.. (in press).

    • Related Report
      1999 Annual Research Report
  • [Publications] H.Hosoya: "Growing Importance of Science Teachers in Primary and Secondary Education"Chemical Educatiion J.. (in press).

    • Related Report
      1999 Annual Research Report
  • [Publications] T.Tachikawa,K.Hiruta,S.Tokita,K.Nishimoto: "Utilization of the Spectrochemical Softness Parameter Evaluated on the Absolute Hardness to the PPP Molecular Orbital Calculations of the Absorption Maxima of the Substituted Anthraquinones"Nonlinear Optics. (in press).

    • Related Report
      1999 Annual Research Report
  • [Publications] Y.Kubo,Y.Murai,J.Yamanaka,S.Tokita,Y.Ishimaru: "A New Biphenyl-20-crown-6-derived Zinc(II) Porphyrin Dimer with a Potentially Heterotropic Allostery"Tetrahedron Lett.. 40. 6019-6023 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] M.Yanagita,S.Kanda,K.Ito,S.Tokita: "The Relationship between the Steric Hindrance and Absorption Spectrum of Fluoran Dyes. Part I"Mol. Cryst. Liq. Cryst.. 327. 49-52 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] M.Yanagita,S.Kanda,K.S.Tokita: "The Relationship between the Steric Hindrance and Absorption Spectrum of Fluoran Dyes. Part II"Mol. Cryst. Liq. Cryst.. 327. 53-56 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] 時田澄男,杉山孝雄,近藤智嗣,菊川 健: "QTVR (Quick Time Virtual Reality)を用いた水素原子の原子軌道の動画表示"J. Chem. Software. 5. 129-136 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] Y.Kubo,S.Obara,S.Tokita: "Effective Signal Control (off-on-off Action) by Metal Ionic Inputs on a New Chromoionophore-based Calix[4]crown"Chem. Commun.. 1999. 2399-2400 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] Y.Kogo,S.Tokita,K.Nishimoto: "Molecular Orbital Calculation of Substituent Effects on Conformation of N-Benzylideneanilines"Nonlinear Optics. (in press).

    • Related Report
      1999 Annual Research Report
  • [Publications] 時田 澄男: "有機工業科学,染料および塗料工学"裳華房. 20 (1999)

    • Related Report
      1999 Annual Research Report
  • [Publications] 時田澄男,榊茂好著,時田ら編: "季刊化学総説,高精度分子設計と新素材開発,半経験的分子軌道法"学会出版センター(印刷中). (2000)

    • Related Report
      1999 Annual Research Report

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Published: 1999-04-01   Modified: 2016-04-21  

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