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Journal of the Korean Physical Society

Numerical method for solving Schrödinger equations using wavelet basis functions

Myoung Won Cho

Published Aug 20, 2025• 0 citations
Publisher
DOI
10.1007/s40042-025-01454-y

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Numerical method for solving Schrödinger equations using wavelet basis functions

Myoung Won Cho

Abstract This paper presents a numerical method for solving Schrödinger equations with arbitrary potentials with the adoption of the qunatum diagonalization scheme and basis functions in the discrete wavelet transform. The quantum diagonalization scheme, developed to solve the Hubbard model and so on, is known to allow the diagonalization of a Hamiltonian matrix of a much large size because it does not require to maintain the entire matrix in memory. And, the adoption of wavelet basis functions enables representing eigenstates efficiently using a number of bases much smaller than the number of grid points to integral and reducing the computation time to perform the diagonalization process. With the help of another additional techniques, the method allows to find solutions of a Schrödinger equation much exactly and efficiently. The validity of the method and its efficiency depending on several conditions are proven and surveyed by applying it to several problems for which the exact solutions are known.

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We present the quantum equation and synthesize an optimal control proce dure for this equation. We develop a theoretical method for the analysis of quantum optimal control system given by the time depending Schrödinger equation. The Legendre wavelet method is proposed for solving this problem. This can be used as an efficient and accurate computational method for obtaining numerical solutions of different quantum optimal control problems. The distinguishing feature of this paper is that it makes the method, previously used to solve non-quantum control equations based on Legendre wavelets, usable by using a change of variables for quantum control equations.

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Abstract This paper presents a numerical method for solving Schrödinger equations with arbitrary potentials with the adoption of the qunatum diagonalization scheme and basis functions in the discrete wavelet transform. The quantum diagonalization scheme, developed to solve the Hubbard model and so on, is known to allow the diagonalization of a Hamiltonian matrix of a much large size because it does not require to maintain the entire matrix in memory. And, the adoption of wavelet basis functions enables representing eigenstates efficiently using a number of bases much smaller than the number of grid points to integral and reducing the computation time to perform the diagonalization process. With the help of another additional techniques, the method allows to find solutions of a Schrödinger equation much exactly and efficiently. The validity of the method and its efficiency depending on several conditions are proven and surveyed by applying it to several problems for which the exact solutions are known.
Orthogonal compact-support Daubechies wavelets are employed as bases for both space and time variables in the solution of the time-dependent Schrodinger equation. Initial value conditions are enforced using special early-time wavelets analogous to edge wavelets used in boundary-value problems. It is shown that the quantum equations may be solved directly and accurately in the discrete wavelet representation, an important finding for the eventual goal of highly adaptive multiresolution Schrodinger equation solvers. While the temporal part of the basis is not sharp in either time or frequency, the Chebyshev method used for pure time-domain propagations is adapted to use in the mixed domain and is able to take advantage of Hamiltonian matrix sparseness. The orthogonal separation into different time scales is determined theoretically to persist throughout the evolution and is demonstrated numerically in a partially adaptive treatment of scattering from an asymmetric Eckart barrier.
We present the quantum equation and synthesize an optimal control proce dure for this equation. We develop a theoretical method for the analysis of quantum optimal control system given by the time depending Schrödinger equation. The Legendre wavelet method is proposed for solving this problem. This can be used as an efficient and accurate computational method for obtaining numerical solutions of different quantum optimal control problems. The distinguishing feature of this paper is that it makes the method, previously used to solve non-quantum control equations based on Legendre wavelets, usable by using a change of variables for quantum control equations.