Sum rules and a second order Feynman-Hellman theorem for abstract operators with applications
Pith reviewed 2026-06-30 12:04 UTC · model grok-4.3
The pith
A second-order extension of the Feynman-Hellmann theorem produces a sum rule for the second derivatives of eigenvalues in one-parameter families of abstract operators.
A machine-rendered reading of the paper's core claim, the machinery that carries it, and where it could break.
Core claim
We derive a sum rule for the second derivative of eigenvalues of a one-parameter family of Hamiltonians extending thereby concepts of second order perturbation theory. The derivation relies on the Feynman-Hellmann theorem applied to abstract operators and produces trace identities that recover and generalize earlier results of Harrell and the author.
What carries the argument
The second-order Feynman-Hellmann theorem for abstract one-parameter families of Hamiltonians, which supplies the trace identity relating the second derivative of an eigenvalue to an expectation value involving the second derivative of the operator.
If this is right
- The sum rule recovers Lieb-Thirring-type semiclassical bounds for Schrödinger operators.
- It produces inequalities for the zeros of Bessel functions.
- It yields eigenvalue inequalities for sums of matrices.
- It generates new trace inequalities for families of operators.
Where Pith is reading between the lines
- The same abstract framework could be iterated to produce sum rules for higher-order eigenvalue derivatives.
- The technique may connect to other trace-formula approaches in scattering theory or random-matrix ensembles.
- Direct numerical checks on finite-matrix truncations of the abstract families would test the sum rule before analytic applications.
Load-bearing premise
The one-parameter families of Hamiltonians must be regular enough that the eigenvalues are twice differentiable and the first- and second-order Feynman-Hellmann identities hold.
What would settle it
A specific one-parameter family of self-adjoint operators satisfying the regularity hypotheses for which the computed second derivatives of eigenvalues fail to obey the stated sum rule.
read the original abstract
We discuss the role of the Feynman-Hellmann theorem for abstract one-parameter families of Hamiltonians in sum rules and trace identities of Harrell and the author and its application to spectral theory. In particular, we derive a sum rule for the second derivative of eigenvalues of a one-parameter family of Hamiltonians extending thereby concepts of second order perturbation theory. We present applications to semiclassical eigenvalue bounds of Schrodinger operators as Lieb-Thirring inequalities, zeros of Bessel functions, eigenvalue inequalities for sums of matrices and trace inequalities.
Editorial analysis
A structured set of objections, weighed in public.
Referee Report
Summary. The manuscript extends the Feynman-Hellmann theorem to second order for abstract one-parameter families of Hamiltonians. It derives a sum rule involving the second derivative of eigenvalues, building on prior sum rules and trace identities of Harrell and the author, and applies the result to semiclassical eigenvalue bounds for Schrödinger operators (including Lieb-Thirring inequalities), zeros of Bessel functions, eigenvalue inequalities for sums of matrices, and trace inequalities.
Significance. If the central derivation holds under the stated regularity assumptions, the work supplies a systematic second-order tool that connects perturbation theory to sum rules in spectral theory. The abstract operator setting is a strength, as it permits direct application across the listed domains without case-by-case adjustments.
minor comments (3)
- The introduction should explicitly reference the precise prior results of Harrell and the author that are being extended, including equation numbers from those works, to clarify the incremental contribution.
- [Applications] In the applications to Lieb-Thirring inequalities and Bessel zeros, a short remark comparing the new bounds to the first-order versions would help readers assess the practical gain.
- Notation for the one-parameter family H(λ) and the eigenvalue λ_n(λ) should be introduced once in a dedicated preliminary section and used consistently thereafter.
Simulated Author's Rebuttal
We thank the referee for the careful reading, positive assessment of the work, and recommendation of minor revision. No specific major comments or requested changes were listed in the report.
Circularity Check
No significant circularity; derivation is self-contained
full rationale
The paper derives a second-order sum rule extending the standard Feynman-Hellmann theorem to abstract one-parameter Hamiltonian families under stated regularity assumptions on eigenvalue derivatives. References to prior sum rules by Harrell and the author are contextual background rather than load-bearing justifications for the new result; the central claim rests on direct application of differentiation under the trace or spectral identities, not on self-citation chains, fitted parameters renamed as predictions, or ansatzes smuggled via prior work. No equations reduce by construction to the inputs, and the listed applications (Lieb-Thirring, Bessel zeros, matrix sums) are standard settings where the extension is independently verifiable.
Axiom & Free-Parameter Ledger
axioms (1)
- domain assumption One-parameter families of Hamiltonians admit the Feynman-Hellmann theorem and its second-order extension with existing eigenvalue derivatives
Reference graph
Works this paper leans on
-
[1]
Arai, A., An abstract sum formula and its applications to special functions, Journal of Mathematical Analysis and Applications Volume 167, 245-265 (1992), https://doi.org/10.1016/0022-247X(92)90250-H
-
[2]
and Stubbe, J., Bound states for Schr¨ odinger Hamiltonians: Phase Space Methods and Applications
Blanchard, Ph. and Stubbe, J., Bound states for Schr¨ odinger Hamiltonians: Phase Space Methods and Applications. Rev. Math. Phys. 35, 504-547 (1996)
1996
-
[3]
and Bellman, R.: Inequalities
Beckenbach, B. and Bellman, R.: Inequalities. 2nd revised printing, Springer 1961, p.70
1961
-
[4]
Bethe, H., Zur Theorie des Durchgangs schneller Korpuskularstrahlen durch Materie,” Ann. Phys. 5, 325–400 (1930). https://doi.org/10.1002/andp.19303970303, translated as ”Theory of the passage of fast corpuscular rays through matter,” in Selected Works of Hans A. Bethe with Commentary,World Scientific, Singapore, 1997, pp. 77–154. https://doi.org/10.1142/...
-
[5]
https://doi.org/10.1007/978-3-662-12869-5
Bethe, H., Salpeter, E., Quantum Mechanics of One- and Two-Electron Atoms, Springer Berlin, Heidelberg 1957. https://doi.org/10.1007/978-3-662-12869-5
-
[6]
Blanchard, Ph., Stubbe, J., Bound states for Schr¨ odinger Hamiltonians: phase space methods and applications. Rev. Math. Phys. 35, 503–547 (1996) https://doi.org/10.1142/S0129055X96000172
-
[7]
Nuovo Cimento 20, 476–478 (1977)
Calogero, F., On the zeros of Bessel functions—II, Lett. Nuovo Cimento 20, 476–478 (1977). https://doi.org/10.1007/BF02783563
-
[8]
Carlen, E. A., Trace inequalities and quantum entropy: An introductory course, Con- tem- porary Mathematics, 2010, pp. 73-140 DOI:10.1090/conm/529/10428
-
[9]
Corless, R. M., Gonnet, G. H., Hare, D. E. G., Jeffrey, D. J., Knuth, D. E. , On the Lambert W function, Advances in Computational Mathematics. 5: 329–359 (1996). https://doi.org/10.1007/BF02124750
-
[10]
Ehrenfest, P. Bemerkung ¨ uber die angen¨ aherte G¨ ultigkeit der klassischen Mechanik innerhalb der Quantenmechanik. Z. Physik 45, 455–457 (1927). https://doi.org/10.1007/BF01329203
-
[11]
Feynman, R.P., Forces in Molecules, Phys. Rev. 56, 340 – 343 (1939). https://doi.org/10.1103/PhysRev.56.340
-
[12]
Frank, R., Laptev,A., Spectral inequalities for Schr¨ odinger operators with surface potentials, in ”Spectral Theory of Differential Operators: M. Sh. Birman 80th Anniversary Collection”, Suslina, T., Yafaev, D., editors, AMS Translations - Series 2, Advances in the Mathematical Sciences, Volume 225 (2007)
2007
-
[13]
https://doi.org/10.1017/9781009218436
Frank, R., Laptev, A., Weidl, T., Schr¨ odinger Operators: Eigenvalues and Lieb–Thirring Inequalities, Cambridge University Press (2022). https://doi.org/10.1017/9781009218436
-
[14]
Splitting of Landau levels in the presence of external potentials
Grosse, H., Stubbe, J. Splitting of Landau levels in the presence of external potentials. Lett. Math. Phys. 34, 59–68 (1995). https://doi.org/10.1007/BF00739375
-
[15]
G¨ uttinger, P., Das Verhalten von Atomen im magnetischen Drehfeld, Z. Physik 73, 169–184 (1932). https://doi.org/10.1007/BF01351211
-
[16]
Harrell, E., Some geometric bounds on eigenvalue gaps, Communications in Partial Differ- ential Equations, 18:1-2, 179-198 (1993), https://doi.org/10.1080/03605309308820926
-
[17]
Harrell, E. M. . Commutators, Eigenvalue Gaps, and Mean Curvature in the Theory of Schr¨ odinger Operators. Communications in Partial Differential Equations, 32(3), 401–413 (2007). https://doi.org/10.1080/03605300500532889
-
[18]
Harrell, E.M., Hermi, L. (2008). Differential inequalities for Riesz means and Weyl-type bounds for eigenvalues. J. Funct. Anal. 254:3173–3191, https://doi.org/10.1016/j.jfa.2008.02.016
-
[19]
Harrell, E., Michel, P., Commutator bounds for eigenvalues, with applications to spectral geometry, Communications in Partial Differential Equations, 19:11-12, 2037-2055 (1994), https://doi.org/10.1080/03605309408821081
-
[20]
Harrell, E.M., Stubbe, J., On trace identities and universal eigenvalue estimates for some partial differential operators, Trans. Amer. Math. Soc. 349, 1797-1809 (1997), https://doi.org/10.1090/S0002-9947-97-01846-1
-
[21]
Harrell, E.M., Stubbe, J., Universal bounds and semiclassical estimates for eigenvalues of abstract Schr¨ odinger operators, SIAM Journ. Math. Anal. Vol. 42, No. 5, 2261–2274 (2010), https://doi.org/10.1137/090763743 SUM RULES ... 29
-
[22]
Harrell, E.M., Stubbe, J., Trace identities for commutators, with applications to the distribution of eigenvalues, Trans. Amer. Math. Soc. 363, 6385-6405 (2011), https://doi.org/10.1090/S0002-9947-2011-05252-9
-
[23]
Zur Rolle der kinetischen Elektronenenergie f¨ ur die zwischenatomaren Kr¨ afte
Hellmann, H. Zur Rolle der kinetischen Elektronenenergie f¨ ur die zwischenatomaren Kr¨ afte. Z. Physik 85, 180–190 (1933). https://doi.org/10.1007/BF01342053
-
[24]
Inokuti, M., Inelastic collisions of fast charged particles with atoms and molecules - the Bethe theory revisited, Rev. Mod. Phys. 43, 297-347 (1971)
1971
-
[25]
Ismael, M., Zhang, R., On the Hellmann-Feynman theorem and the variation of zeros of certain special functions, Adv. Appl. Math. 9, 439-446 (1988). https://doi.org/10.1016/0196- 8858(88)90022-X
-
[26]
Perturbation Theory for Linear Operators, Springer Berlin, Heidelberg 1980
Kato, T. Perturbation Theory for Linear Operators, Springer Berlin, Heidelberg 1980. https://doi.org/10.1007/978-3-642-66282-9
-
[27]
https://doi.org/10.1006/jfan.2000.3620
Kostrykin, V., Concavity of Eigenvalue Sums and the Spectral Shift Function, Journal of Functional Analysis 176, 100-114 (2000). https://doi.org/10.1006/jfan.2000.3620
-
[28]
Kriegl, A., Michor, P., Differentiable perturbation of unbounded operators, Math. Ann. 327, 191–201 (2003). https://doi.org/10.1007/s00208-003-0446-5
-
[29]
Kuhn, W., ¨Uber die Gesamtst¨ arke der von einem Zustande ausgehenden Absorptionslinien,” Z. Phys. 33, 408–412 (1925). https://doi.org/10.1007/BF01328322
-
[30]
On eigenvalues of matrices dependent on a parameter
Lancaster, P. On eigenvalues of matrices dependent on a parameter. Numer. Math. 6, 377–387 (1964). https://doi.org/10.1007/BF01386087
-
[31]
J. T. Lewis, J. T., Muldoon, M. E., Monotonicity and Convexity Properties of Zeros of Bessel Functions. SIAM J. Math. Anal.Vol. 8, No. 1 (1977) https://doi.org/10.1137/0508012
-
[32]
Convexity and concavity of eigenvalue sums
Lieb, E.H., Siedentop, H. Convexity and concavity of eigenvalue sums. J Stat Phys 63, 811–816 (1991). https://doi.org/10.1007/BF01029984
-
[33]
doi 10.1209/0295-5075/14/4/001
Martin, A., Stubbe, J., Spacings of Purely Angular Excitations in Potentials with a Laplacian of a Given Sign, and Applications, 287-294 (1991). doi 10.1209/0295-5075/14/4/001
-
[34]
30, Institute of Mathematics, Polish Academy od Sciences, Warszawa, 1994
Petz, D., A survey of certain trace inequalities, functional analysis and operator theory center publica- tions, Vol. 30, Institute of Mathematics, Polish Academy od Sciences, Warszawa, 1994
1994
-
[35]
The Hellmann-Feynman theorem: a perspective
Politzer, P., Murray, J.S. The Hellmann-Feynman theorem: a perspective. J Mol Model 24, 266 (2018). https://doi.org/10.1007/s00894-018-3784-7
-
[36]
Provenzano, L. Stubbe, J., Semiclassical eigenvalue bounds for compact ho- mogeneous irreducible Riemannian manifolds, arXiv:2503.02716, 16 pages (2025), https://doi.org/10.48550/arXiv.2503.02716
-
[37]
Qu, C.K., Wong, R., ”Best possible” upper and lower bounds for the zeros of the Bessel func- tionJ ν(x), Trans. Amer. Math. Soc. 351, 2833-2859 (1999). https://doi.org/10.1090/S0002- 9947-99-02165-0
-
[38]
Reiche, F., Thomas, W., ¨Uber die Zahl der Dispersionselektronen, die einem station¨ aren Zustand zugeordnet sind. Z. Physik 34, 510–525 (1925). https://doi.org/10.1007/BF01328494
-
[39]
Schiff, L.I., Quantum Mechanics, McGraw-Hill 1955, 2nd edition
1955
-
[40]
Stubbe, J., Universal monotonicity of eigenvalue moments and sharp Lieb–Thirring inequal- ities, JEMS vol. 12, 1347-1353 (2010). http://dx.doi.org/10.4171/JEMS/233
-
[41]
Thirring, W., Quantum mathematical physics: atoms, molecules and large systems, Springer, 2nd edition 2002, revised 2003, https://doi.org/10.1007/978-3-662-05008-8
-
[42]
Thomas, W., ¨Uber die Zahl der Dispersionselectronen, die einem station¨ aren Zu- stande zugeordnet sind ( Vorl¨ aufige Mitteilungen), Naturwiss. 13, 627 (1925). https://doi.org/10.1007/BF01558908
-
[43]
Wallace, D., An Introduction To Hellmann-Feynman Theory, 34 pages (2005) Electronic Theses and Dissertations. 413. https://stars.library.ucf.edu/etd/413
2005
-
[44]
Wang, S., Generalization of the Thomas-Reiche-Kuhn and the Bethe sum rules, Phys. Rev. A 60, 262-266 (1999), https://doi.org/10.1103/PhysRevA.60.262 Joachim Stubbe, EPFL SB-DO, Station 3, CH-1015 Lausanne, Switzerland Email address:Joachim.Stubbe@epfl.ch
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