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International Journal of Modern Physics B

GENERALIZED VARIATIONAL PRINCIPLE IN QUANTUM MECHANICS

Andrey Vladimirovich Soldatov

Published Oct 10, 1995• 13 citations
Publisher

Abstract

An algorithm is proposed that allows us to derive the convergent sequence of upper bounds for the ground state energy of a quantum system. The algorithm generalizes the well-known variational principle of quantum mechanics and moreover provides qualitative, and under some additional conditions even quantitative, characteristics of the spectrum of a quantum system as a whole.

DOI
10.1142/s0217979295001087

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•Jan 1, 2007•0 citations
An algorithm is proposed that allows us to derive the convergent sequence of upper bounds for the ground state energy of a quantum system. The algorithm generalizes the well-known variational principle of quantum mechanics and moreover provides qualitative, and under some additional conditions even quantitative, characteristics of the spectrum of a quantum system as a whole.
Weinstein's modification of the Ritz principle is used to derive (1) a lower bound for the nnn-th energy-level of a quantum mechanical system if a lower bound for the $(n+1)\ensuremath{-}\mathrm{s}\mathrm{t}$ level is known; and (2) an upper bound for the nnn-th level if an upper bound for the $(n\ensuremath{-}1)\ensuremath{-}\mathrm{s}\mathrm{t}$ level is known.
The variational method in quantum mechanics plays a crucial role in estimating upper bound values of eigenenergies, particularly in the efficient determination of ground state energies. This paper introduces a formalism for the calculation of ground state energies in relativistic quantum systems employing the variational method. The proposed approach is applied to specific physical systems, allowing us to evaluate its effectiveness. Furthermore, we compare the results obtained through this method with existing literature, shedding light on its accuracy and applicability in the context of relativistic quantum systems.
The variational principle is revisited in the context of finding the upper and lower bounds to the ground state energy. It is shown how the variational principle can be employed to find the lower bound by partitioning the Hamiltonian into several parts. We demonstrate how the variational principle can be used to find the exact ground states in some special cases. We consider the harmonic oscillator and the Ising Hamiltonian on a bipartite lattice which are familiar yet instructive examples for students.
S u m m a r y . A rigorous theory of variational principles in quantum mechanics is formulated. This result is obtained by generalizing the standard theory of the inverse problem of the variational cahmlus, according to new concepts of differentiability on complex Banach spaces. Our theory provides sound mathematical foundations to all known variational principles of quantum mechanics and a powerful tool to find new ones. As a simple application, we derive rigorously two variational principles for the time-dependent SchrSdinger equation: the conventional one, requiring both an initial and a final condition, and a new one, requiring an initial condition only.