Quasidegenerate perturbation theory with MCSCF reference functions and its application to molecular systems MCSCF波動関数を参照とする擬縮退系の摂動論と分子系への応用

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Author

    • 中野, 晴之 ナカノ, ハルユキ

Bibliographic Information

Title

Quasidegenerate perturbation theory with MCSCF reference functions and its application to molecular systems

Other Title

MCSCF波動関数を参照とする擬縮退系の摂動論と分子系への応用

Author

中野, 晴之

Author(Another name)

ナカノ, ハルユキ

University

京都大学

Types of degree

博士 (理学)

Grant ID

甲第5473号

Degree year

1993-07-23

Note and Description

博士論文

Table of Contents

  1. 論文目録 / (0001.jp2)
  2. Contents / p1 (0004.jp2)
  3. 1 Survey of perturbation theory / p3 (0006.jp2)
  4. 1.1 Introduction / p3 (0006.jp2)
  5. 1.2 Brief review of the quasidegenerate perturbation theory / p10 (0013.jp2)
  6. 1.3 Mφller-Plesset and Epstein-Nesbet partitionings of the Hamiltonian / p14 (0017.jp2)
  7. 2 MCSCF reference quasidegenerate perturbation theory with Mφller-Plesset partitioning / p20 (0023.jp2)
  8. 2.1 Introduction / p20 (0023.jp2)
  9. 2.2 Theory / p22 (0025.jp2)
  10. 2.3 Applications / p30 (0033.jp2)
  11. 2.4 Concluding remarks / p36 (0039.jp2)
  12. 3 MCSCF reference quasidegenerate perturbation theory with Epstein-Nesbet partitioning / p56 (0059.jp2)
  13. 3.1 Introduction / p56 (0059.jp2)
  14. 3.2 Theory / p57 (0060.jp2)
  15. 3.3 Applications / p61 (0064.jp2)
  16. 3.4 Concluding remarks / p63 (0066.jp2)
  17. 4 Convergence property of multireference many-body perturbation theory analyzed by the use of a norm of effective Hamiltonian / p72 (0075.jp2)
  18. 4.1 Introduction / p72 (0075.jp2)
  19. 4.2 Norm of the effective Hamiltonian / p74 (0077.jp2)
  20. 4.3 Calculation / p75 (0078.jp2)
  21. 4.4 Results and discussion / p77 (0080.jp2)
  22. 4.5 Concluding remarks / p80 (0083.jp2)
  23. 5 Conclusion / p93 (0096.jp2)
  24. Efficient and stable method of searching for optimum structures of molecules containing cyclic parts / p458 (0190.jp2)
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Codes

  • NII Article ID (NAID)
    500000099321
  • NII Author ID (NRID)
    • 8000000099551
  • DOI(NDL)
  • NDLBibID
    • 000000263635
  • Source
    • NDL ONLINE
    • NDL Digital Collections
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