Schrödinger 方程式の虚時間発展行列積解法により求めた2 電子系波動関数の構造についての基礎的考察

YAGI Toru, 雲兵 長嶋

電子状態の新規計算方法として，虚時間発展演算子の行列表現を用いた行列積解法を試みた。理論的な基礎とした基底量子モンテカルロ法では，格子分割後の空間に配置した基底関数を用いて虚時間発展の演算子の行列表現を求める。この虚時間発展の行列表現に対し，本研究ではモンテカルロ法を用いず，直接的に行列積を繰り返し実施するという手法で電子状態を求める計算を行った。2 電子のモデル系についての計算を実施し，一重項と三重項に対応する結果が得られた。また，2 電子波動関数と，それを積分した1 電子分布関数を求めたところ，いずれも節面を持つ波動関数の構造を表現することができた。

伸 高木

孔一 中村

dong ZHANG

Working from the German original of Schrödinger’s well known thought experiment (here given in translation), this paper sets out several ideas that are known and determinate in Schrödinger’s cat. The first is the cat’s Schrödinger — that is, the cat putting Schrödinger into the steel box. The most important one is that atoms of the same isotope differ. And so on.

Dedy A. Bilaut, C. Cari, Suparmi Suparmi +1 more

Abstract: The analytical solution of the Schrodinger equation affected by Kratzer potential in Bispherical coordinate system was derived. The separable method was applied to reducing the Schrodinger equation which depends on into three one-dimensional Schrodinger equations. The Schrodinger equations as the function of with and without -deformed were solved using the SUSY QM method. The solutions were eigenvalue and eigenfunction of -deformed Schrodinger equation and eigenvalue end eigenfunction of Schrodinger equation with and without q-deformed in Bispherical coordinate system. The energy of the Schrodinger equation with -deformed equals to the Energy of Schrodinger without -deformed since the parameter becomes to zero. Abstrak: Solusi analitik dari Persamaan Schrodinger yang dipengaruhi Potensial Kratzer dalam koordinat Bispherical telah berhasil diturunkan. Metode pemisahan variabel digunakan untuk mereduksi persamaan Schrodinger yang bergantung pada menjadi tiga persamaan Schrodinger satu dimensi. Persamaan Schrodinger fungsi terdeformasi- dan tidak terdeformasi- diselesaikan menggunakan metode SUSY QM. Solusi yang berhasil didapatkan adalah nilai eigen dan fungsi eigen persamaan Schrodinger, masing-masing untuk sistem terdeformasi- dan yang tidak terdeformasi- dalam koordinat Bispherical. Energi dari persamaan Schrodinger terdeformasi- sama dengan energi dari persamaan Schrodinger yang tidak terdeformasi- ketika sama dengan nol.

Clive W. Kilmister

1. Introduction C. W. Kilmister 2. Boltzmann's influence on Schrodinger Dieter Flamm 3. Schrodinger's original interpretation of the Schrodinger equation: a rescue attempt Jon Dorling 4. Are there quantum jumps? J. S. Bell 5. Square root of minus one, complex phases and Erwin Schrodinger Chen Ning Yung 6. Consequences of the Schrodinger equation for atomic and molecular physics W. E. Thirring 7. Molecular dynamics: from H + H, to biomolecules Martin Karplus 8. Orbital presentation of chemical reactions Kenichi Fukui 9. Quantum chemistry A. D. Buckingham 10. Eamon de Valera, Erwin Schrodinger and the Dublin Institute Sir William McCrea 11. Do bosons condense? J. T. Lewis 12. Schrodinger's nonlinear optics James McConnell 13. Schrodinger's unified field theory seen 40 years later O. Hittmair 14. The Schrodinger equation of the Universe S. W. Hawking 15. Overview of particle physics A. Salam 16. Gauge fields, topological defects and cosmology T. W. B. Kibble 17. Quantum theory and astronomy M. J. Seaton 18. Schrodinger's contributions to chemistry and biology Linus Pawling 19. Erwin Schrodinger's What is Life? and molecular biology M. F. Perutz.