NUMERICAL SOLUTION OF SCHRÖDINGER EQUATION USING MATRIX METHOD
Main Article Content
Abstract
This study presents a numerical method for solving the matrix Schrödinger equation using symmetric tridiagonal and heptadiagonal matrices. The approach is based on the -th order Taylor series expansion to approximate second-order derivatives. It is applied to investigate both bound and scattering states in two cases: a one-body problem with a square well potential using natural units, and the nuclear structure and scattering of the n+16O system with physical parameters. The numerical results are compared with analytical solutions and those obtained using the Numerov method. These comparisons demonstrate that the symmetric heptadiagonal matrix offers higher accuracy, particularly in calculating phase shifts for scattering states.
Keywords
matrix diagonalization, Schrödinger equation
Article Details
References
Bathe, K. J., & Wilson, E. L. (1976). Numerical Methods in Finite Element Analysis. Prentice-Hall.
Canto, L. F., & Hussein, M. S. (2013). Scattering theory of molecules, atoms, and nuclei. World Scientific. https://doi.org/https://doi.org/10.1142/8012
Griffiths, D. J., & Schroeter, D. F. (2018). Introduction to Quantum Mechanics (3rd ed.). Cambridge University Press.
Kutta, W. (1901). Beitrag zur näherungsweisen Integration totaler Differentialgleichungen. Teubner.
Lanczos, C. (1950). An iteration method for the solution of the eigenvalue problem of linear differential and integral operators. Journal of Research of the National Bureau of Standards, 45(4), 255–282.
Luong, L. H., Luu, K. L., Nguyen, M. N., & Gusev, A. A. (2022). Calculation of metastable states in scattering and eigenvalue problems for complex potential barrier. Ho Chi Minh City University of Education Journal of Science, 19(10), 1599–1610. https://doi.org/https://doi.org/10.54607/hcmue.js.19.10.3474
Numerov, B. (1927). Note on the numerical integration of d2x/dt2 = f(x,t). Astronomische Nachrichten, 230(19), 359–364. https://doi.org/https://doi.org/10.1002/asna.19272301903
Oghre, E. O., Taiwo, T. J., & Njah, A. N. (2019). Solution of the Schrödinger Equation Using Tridiagonal Representation Approach in Nonrelativistic Quantum Mechanics: A Pedagogical Approach. Transactions of the Nigerian Association of Mathematical Physics, 8, 31–52.
Okock, P. O. (2015). A matrix method of solving the Schrodinger equation. African Institutes of Mathematical Sciences., Tanzania.
Press, W. H. (2007). Numerical Recipes 3rd Edition: The Art of Scientific Computing. Cambridge University Press.
Reference-LAPACK. (2025). LAPACK - Linear Algebra PACKage. https://github.com/Reference-LAPACK/lapack
Runge, C. (1895). Über die numerische Auflösung von Differentialgleichungen. Mathematische Annalen, 46(2), 167–178.
Schrödinger, E. (1926a). An undulatory theory of the mechanics of atoms and molecules. Physical Review, 28(6), 1049.
Schrödinger, E. (1926b). Quantisierung als Eigenwertproblem: Erste Mitteilung. Annalen Der Physik, 79, 361–376.