First principles investigation of strongly correlated electronic systems by the MCSCF cluster method MCSCFクラスター法による第一原理からの強相関電子系の研究
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Bibliographic Information
- Title
-
First principles investigation of strongly correlated electronic systems by the MCSCF cluster method
- Other Title
-
MCSCFクラスター法による第一原理からの強相関電子系の研究
- Author
-
江藤, 幹雄
- Author(Another name)
-
エトウ, ミキオ
- University
-
東京大学
- Types of degree
-
理学博士
- Grant ID
-
甲第8751号
- Degree year
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1990-09-27
Note and Description
博士論文
Table of Contents
- Contents / p3 (0004.jp2)
- 1 Introduction / p1 (0005.jp2)
- 2 Treatment of the Correlation Effect / p5 (0007.jp2)
- 2.1 The Hartree-Fock,the Heitler-London and the CI methods / p6 (0008.jp2)
- 2.2 The MCSCF Method / p8 (0009.jp2)
- 3 Uncompensated Si:P Systems / p11 (0010.jp2)
- 3.1 Introduction / p11 (0010.jp2)
- 3.2 Cluster Calculation Method. / p14 (0012.jp2)
- 3.3 Calculated Results / p15 (0012.jp2)
- 3.4 Specific Heat and Spin-Susceptibility / p20 (0015.jp2)
- 3.5 Conclusion and Remarks / p23 (0016.jp2)
- 4 Compensated Si:P Systems / p25 (0017.jp2)
- 4.1 Introduction / p25 (0017.jp2)
- 4.2 Cluster Calculation Method / p27 (0018.jp2)
- 4.3 Calculated Results / p28 (0019.jp2)
- 4.4 Specific Heat and Spin-Susceptibility / p30 (0020.jp2)
- 4.5 Conclusion and Remarks / p31 (0020.jp2)
- 5 Copper Oxide Materials of High Temperature Superconductors / p33 (0021.jp2)
- 5.1 Introduction / p33 (0021.jp2)
- 5.2 Cluster Calculation Method / p36 (0023.jp2)
- 5.3 CuO₆ Cluster / p40 (0025.jp2)
- 5.4 CuO₄ Cluster / p49 (0029.jp2)
- 5.5 Cu₂O₁₁ and Cu₂O₇ Clusters / p53 (0031.jp2)
- 5.6 Conclusions and Remarks / p61 (0035.jp2)
- 6 Summary / p63 (0036.jp2)
