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