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KAKEN_16K05668seika.pdf
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原子・分子の共鳴状態および光イオン化過程の理論研究
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ゲンシ・ブンシ ノ キョウメイ ジョウタイ オヨビ ヒカリ イオンカ カテイ ノ リロン ケンキュウ
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Genshi bunshi no kyōmei jōtai oyobi hikari ionka katei no riron kenkyū
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Theoretical study of resonance states and photoionization of atoms and molecules
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藪下, 聡
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ヤブシタ, サトシ
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Yabushita, Satoshi
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慶應義塾大学・理工学部 (矢上) ・教授
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Research team head
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科研費研究者番号 : 50210315
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岩田, 末廣
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イワタ, スエヒロ
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Iwata, Suehiro
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慶應義塾大学・理工学部 (矢上) ・訪問教授
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Research team member
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科研費研究者番号 : 20087505
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2020
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科学研究費補助金研究成果報告書
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2019
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連続状態波動関数が漸近領域で満たす境界条件はその微分断面積の議論に必要不可欠であるが、可積分 (L2) 法ではその取り扱いが困難であった。この解決のために、光イオン化の遷移モーメントに「2ポテンシャル公式」を用い、非同次シュレーディンガー方程式の解を複素基底関数 (CBF)法によって表現する方法を考案した。
1電子ウラン正イオンのK殻光イオンの問題に非同次Dirac方程式を応用した。全断面積、微分断面積は以前の理論計算とも、また中性ウラン原子の実験結果ともよく一致した。この計算結果は、電磁場の多極子効果と小成分波動関数の重要性を示し、相対論を含む計算におけるCBF法の有用性が分かった。
Boundary conditions satisfied by continuum states at the asymptotic region are essential for the discussion of differential cross sections, and have been a long-standing obstacle to some L2 methods. To solve this problem, we rely on the so-called two-potential formula to represent transition moments, and apply the complex basis function (CBF) method to solve the driven-type Schrödinger equation for photoionization differential cross sections.
The K-shell photoionization cross sections of the one-electron uranium cation have been studied using the inhomogeneous Dirac equation. The total and differential cross sections showed good agreement with the previous theoretical values and also with experimental values for the neutral uranium atom, emphasizing the importance of the multipole effect of electromagnetic fields, and significant effects caused by the small component wave functions. These results demonstrated the effectiveness of the CBF method in relativistic treatment.
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研究種目 : 基盤研究 (C) (一般)
研究期間 : 2016～2019
課題番号 : 16K05668
研究分野 : 理論化学
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