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Atti della Accademia Peloritana dei Pericolanti. Classe di Scienze Fisiche, Matematiche e Naturali/Atti della Accademia Peloritana dei Pericolanti, Classe di Scienze Fisiche, Matematiche e Naturali

The pointwise Hellmann-Feynman theorem

David Carfì

Published Feb 1, 2010• 9 citations
Publisher

Abstract

In this paper we study from a topological point of viewthe Hellmann-Feynman theorem of Quantum Mechanics. The goal of the paper is twofold: On one hand we emphasize the role of the strong topology in the classic version of the theorem in Hilbert spaces, for what concerns the kind of convergence required on the space of continuous linear endomorphisms, which contains the space of (continuous) observables. On the other hand we state and prove a new pointwise version of the classic Hellmann-Feynman theorem. This new version is not yet present in the literature and follows the idea of A. Bohm concerning the topology which is desiderable to use in Quantum Mechanics. It is indeed out of question that this non-trivial new version of the Hellmann-Feynman theorem is the ideal one - for what concerns the continuous observables on Hilbert spaces, both from a theoretical point of view, since it is the strongest version obtainable in this context - we recall that the pointwise topology is the coarsest one compatible with the linear structure of the space of continuous observables -, and from a practical point of view, because the pointwise topology is the easiest to use among topologies: it brings back the problems to the Hilbert space topology. Moreover, we desire to remark that this basic theorem of Quantum Mechanics, in his most desiderable form, is deeply interlaced with two cornerstones of Functional Analysis: the Banach-Steinhaus theorem and the Baire theorem.

DOI
10.1478/c1a1001004

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Results in Physics•Jan 1, 2015•1 citation
In this paper we study from a topological point of viewthe Hellmann-Feynman theorem of Quantum Mechanics. The goal of the paper is twofold: On one hand we emphasize the role of the strong topology in the classic version of the theorem in Hilbert spaces, for what concerns the kind of convergence required on the space of continuous linear endomorphisms, which contains the space of (continuous) observables. On the other hand we state and prove a new pointwise version of the classic Hellmann-Feynman theorem. This new version is not yet present in the literature and follows the idea of A. Bohm concerning the topology which is desiderable to use in Quantum Mechanics. It is indeed out of question that this non-trivial new version of the Hellmann-Feynman theorem is the ideal one - for what concerns the continuous observables on Hilbert spaces, both from a theoretical point of view, since it is the strongest version obtainable in this context - we recall that the pointwise topology is the coarsest one compatible with the linear structure of the space of continuous observables -, and from a practical point of view, because the pointwise topology is the easiest to use among topologies: it brings back the problems to the Hilbert space topology. Moreover, we desire to remark that this basic theorem of Quantum Mechanics, in his most desiderable form, is deeply interlaced with two cornerstones of Functional Analysis: the Banach-Steinhaus theorem and the Baire theorem.
We revisit the celebrated Hellmann-Feynman theorem (HFT) in the PT invariant non-Hermitian quantum physics framework. We derive a modified version of HFT by changing the definition of inner product and explicitly show that it holds good for both PT broken, unbroken phases and even at the exceptional point of the theory. The derivation is extremely general and works for even PT non-invariant Hamiltonian. We consider several examples of discrete and continuum systems to test our results. We find that if the eigenvalue goes through a real to complex transition as a function of the Hermiticity breaking parameter, both sides of the modified HFT expression diverge at that point. If that point turns out to be an EP of the PT invariant quantum theory, then one also sees the divergence at EP. Finally, we also derive a generalized Virial theorem for non-Hermitian systems using the modified HFT, which potentially can be tested in experiments.
We point out that two of the most important theorems of Quantum Mechanics, the Ehrenfest theorem and the Hellmann-Feynman theorem, lack in their standard form important information: there are cases where non-Hermitian boundary contributions emerge. These contributions actually appear naturally, in order for the above theorems to be valid and applicable (i.e. in multiply-connected spaces), and this occurs for physical quantities that are not represented by well-defined self-adjoint operators (such as the position operator in a periodic potential, or in general Aharonov-Bohm configurations, either in real or in an arbitrary parameter-space, in the sense of Berry's adiabatic and cyclic procedures). In this short note, we report modifications of these two theorems when such non-Hermiticities appear, and we demonstrate how they resolve certain Quantum Mechanical paradoxes (most of them having been noticed in the past as violations of the so-called Hypervirial theorem in Quantum Chemistry). This resolution of paradoxes (essentially the re-establishment of applicability of the Ehrenfest theorem even in multiply-connected spaces) always proceeds through the appearance of certain generalized currents, in a theoretical picture with interesting structure (where a generalized continuity equation with a sink term shows up naturally).
We revisit the celebrated Hellmann-Feynman theorem (HFT) in the parity-time (PT)(\mathcal{PT})(PT) invariant non-Hermitian quantum physics framework. We derive a modified version of HFT by changing the definition of inner product and explicitly show that it holds good for both PT\mathcal{PT}PT broken and unbroken phases and even at the exceptional point of the theory. The derivation is extremely general and works for even the PT\mathcal{PT}PT noninvariant Hamiltonian. We consider several examples of discrete and continuum variable systems to test our results. We find that, if the eigenvalue goes through a real-to-complex transition as a function of the Hermiticity breaking parameter, both sides of the modified HFT expression diverge at that point. If that point turns out to be an EP of the PT\mathcal{PT}PT-invariant quantum theory, then one also sees the divergence at EP. Moreover, we have also demonstrated that using the modified HFT can give rise to a potential numerical advantage for computing the expectation value of many-body operators for interacting many-body Hamiltonian. Finally, we also derive a generalized virial theorem for non-Hermitian systems using the modified HFT, which potentially can be tested in experiments.
As earlier conjectured by several authors and much later established by Solèr (relying on partial results by Piron, Maeda–Maeda and other authors), from the lattice theory point of view, Quantum Mechanics may be formulated in real, complex or quaternionic Hilbert spaces only. Stückelberg provided some physical, but not mathematically rigorous, reasons for ruling out the real Hilbert space formulation, assuming that any formulation should encompass a statement of Heisenberg principle. Focusing on this issue from another — in our opinion, deeper — viewpoint, we argue that there is a general fundamental reason why elementary quantum systems are not described in real Hilbert spaces. It is their basic symmetry group. In the first part of the paper, we consider an elementary relativistic system within Wigner’s approach defined as a locally-faithful irreducible strongly-continuous unitary representation of the Poincaré group in a real Hilbert space. We prove that, if the squared-mass operator is non-negative, the system admits a natural, Poincaré invariant and unique up to sign, complex structure which commutes with the whole algebra of observables generated by the representation itself. This complex structure leads to a physically equivalent reformulation of the theory in a complex Hilbert space. Within this complex formulation, differently from what happens in the real one, all selfadjoint operators represent observables in accordance with Solèr’s thesis, and the standard quantum version of Noether theorem may be formulated. In the second part of this work, we focus on the physical hypotheses adopted to define a quantum elementary relativistic system relaxing them on the one hand, and making our model physically more general on the other hand. We use a physically more accurate notion of irreducibility regarding the algebra of observables only, we describe the symmetries in terms of automorphisms of the restricted lattice of elementary propositions of the quantum system and we adopt a notion of continuity referred to the states viewed as probability measures on the elementary propositions. Also in this case, the final result proves that there exists a unique (up to sign) Poincaré invariant complex structure making the theory complex and completely fitting into Solèr’s picture. This complex structure reveals a nice interplay of Poincaré symmetry and the classification of the commutant of irreducible real von Neumann algebras.
The Feynman maps introduced first by Truman are examined. The domain considered here consists of the Fresnel-integrable functions in the sense of Albeverio and Hoegh-Krohn; extensions to wider classes of functions will be studied in the following paper. The original definition of the F-maps is slightly modified: we start from the underlying measures on the Hilbert space of paths in order to avoid use of improper integrals. Some new properties of the F-maps are derived. In particular, the dominated convergence theorem is shown to be not valid for the F1-map (or Feynman integral); this fact is of a certain importance for the classical limit of quantum mechanics.