Ab initio molecular integral calculation on the vector processing computer ベクトルコンピュータ上におけるアブイニシオ分子積分計算
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Bibliographic Information
- Title
-
Ab initio molecular integral calculation on the vector processing computer
- Other Title
-
ベクトルコンピュータ上におけるアブイニシオ分子積分計算
- Author
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八尋, 秀一
- Author(Another name)
-
ヤヒロ, シュウイチ
- University
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九州大学
- Types of degree
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理学博士
- Grant ID
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乙第5130号
- Degree year
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1992-03-27
Note and Description
博士論文
Table of Contents
- CONTENTS / (0004.jp2)
- Chapter I.Introduction / p1 (0005.jp2)
- Chapter II.A Vector Processing Algorithm of Auxiliary Integral Evaluation for Two-electron Gaussian Integrals / p13 (0017.jp2)
- Chapter III.A Vector Processing Algorithm for Electron Repulsion Integrals in Ab Initio HF Calculation Based on the PK Supermatrix / p34 (0038.jp2)
- Chapter IV.An Improvement of a PK Supermatrix Formalism for the Vector Processing Computer / p89 (0093.jp2)
- Chapter V.Conclusion and Remarks / p101 (0105.jp2)
- Appendix / p104 (0108.jp2)