In the previous chapters, we have shown how to solve the Schrodinger equation for several systems as a particle in an infinite and finite potential well, scattering, harmonic oscillator, and hydrogen atom. For all these systems, we were able to solve Schrodinger's equation exactly. However, there are complicated potentials for which Schrodinger's equation cannot be solved exactly. For such situations, we resort to approximation methods for finding approximate solutions to the Schrodinger equation. In this chapter, we discuss several approximate methods for solving Schrodinger's equation.In the previous chapters, we have shown how to solve the Schrodinger equation for several systems as a particle in an infinite and finite potential well, scattering, harmonic oscillator, and hydrogen atom. For all these systems, we were able to solve Schrodinger's equation exactly. However, there are complicated potentials for which Schrodinger's equation cannot be solved exactly. For such situations, we resort to approximation methods for finding approximate solutions to the Schrodinger equation. In this chapter, we discuss several approximate methods for solving Schrodinger's equation.

CRC Press eBooksOct 10, 20180 citations

A new approach to the exact solutions of the effective mass Schrödinger equation

C. Tezcan, R. Sever

Effective mass Schrödinger equation is solved exactly for a given potential. Nikiforov-Uvarov method is used to obtain energy eigenvalues and the corresponding wave functions. A free parameter is used in the transformation of the wave function. The effective mass Schrödinger equation is also solved for the Morse potential transforming to the constant mass Schrödinger equation for a potential. One can also get solution of the effective mass Schrödinger equation starting from the constant mass Schrödinger equation. PACS numbers: 03.65.-w; 03.65.Ge; 12.39.Fd Keywords: Position-dependent mass, Effective mass Schrödinger equation, Morse potential, Nikiforov-Uvarov methodEffective mass Schrödinger equation is solved exactly for a given potential. Nikiforov-Uvarov method is used to obtain energy eigenvalues and the corresponding wave functions. A free parameter is used in the transformation of the wave function. The effective mass Schrödinger equation is also solved for the Morse potential transforming to the constant mass Schrödinger equation for a potential. One can also get solution of the effective mass Schrödinger equation starting from the constant mass Schrödinger equation. PACS numbers: 03.65.-w; 03.65.Ge; 12.39.Fd Keywords: Position-dependent mass, Effective mass Schrödinger equation, Morse potential, Nikiforov-Uvarov method

Jan 1, 200810 citations

The Schrödinger Equation

Walter Greiner

Springer eBooksJan 1, 19930 citations

The Schrödinger Equation

Rolf E. Hummel

Springer eBooksJan 1, 19930 citations

Verifiably exact solution of the electronic Schrödinger equation on quantum devices

Scott E. Smart, David A. Mazziotti

Quantum computers have the potential for a significant speedup of molecular computations. However, existing algorithms have limitations; quantum phase estimation (QPE) is intractable on current hardware while variational quantum eigensolvers (VQE) are dependent upon approximate wave functions without guaranteed convergence. In this paper we present an algorithm that yields verifiably exact solutions of the many-electron Schr\"odinger equation. Rather than solve the Schr\"odinger equation directly, we solve its contraction over all electrons except two, known as the contracted Schr\"odinger equation (CSE). The CSE generates a wave-function Ansatz, constructed from an iterative product of nonunitary two-body transformations, whose energy gradient with respect to the two-body operator of the current iteration vanishes if and only if the CSE is satisfied. Because the CSE implies the Schr\"odinger equation, the two-electron Ansatz provides a verifiably exact Ansatz for solving the many-electron Schr\"odinger equation. The exactness property contrasts with that of Ans\"atze built from the product of unitary two-body transformations where the gradient---the residual of the anti-Hermitian part of the CSE (ACSE)---can vanish without implying a solution of the Schr\"odinger equation. We demonstrate the algorithm on both simulators and noisy quantum computers with ${\mathrm{H}}_{2}$ dissociation and the rectangle-to-square transition in ${\mathrm{H}}_{4}$ .Quantum computers have the potential for a significant speedup of molecular computations. However, existing algorithms have limitations; quantum phase estimation (QPE) is intractable on current hardware while variational quantum eigensolvers (VQE) are dependent upon approximate wave functions without guaranteed convergence. In this paper we present an algorithm that yields verifiably exact solutions of the many-electron Schr\"odinger equation. Rather than solve the Schr\"odinger equation directly, we solve its contraction over all electrons except two, known as the contracted Schr\"odinger equation (CSE). The CSE generates a wave-function Ansatz, constructed from an iterative product of nonunitary two-body transformations, whose energy gradient with respect to the two-body operator of the current iteration vanishes if and only if the CSE is satisfied. Because the CSE implies the Schr\"odinger equation, the two-electron Ansatz provides a verifiably exact Ansatz for solving the many-electron Schr\"odinger equation. The exactness property contrasts with that of Ans\"atze built from the product of unitary two-body transformations where the gradient---the residual of the anti-Hermitian part of the CSE (ACSE)---can vanish without implying a solution of the Schr\"odinger equation. We demonstrate the algorithm on both simulators and noisy quantum computers with ${\mathrm{H}}_{2}$ dissociation and the rectangle-to-square transition in ${\mathrm{H}}_{4}$.

arXiv:2303.00758Physical Review AFeb 5, 202418 citations

{\mathrm{H}}_{2}

dissociation and the rectangle-to-square transition in

{\mathrm{H}}_{4}