Kuhn Losses Regained: Van Vleck from Spectra to Susceptibilities

We follow the trajectory of John H. Van Vleck from his 1926 Bulletin for the National Research Council (NRC) on the old quantum theory to his 1932 book, The Theory of Electric and Magnetic Susceptibilities. We highlight the continuity of formalism and technique in the transition from dealing with spectra in the old quantum theory to dealing with susceptibilities in the new quantum mechanics. Our main focus is on the checkered history of a numerical factor in the Langevin-Debye formula for the electric susceptibility of gases. Classical theory predicts that this factor is equal to 1/3. The old quantum theory predicted values up to 14 times higher. Van Vleck showed that quantum mechanics does away with this "wonderful nonsense" (as Van Vleck called it) and restores the classical value 1/3. The Langevin-Debye formula thus provides an instructive example of a Kuhn loss in one paradigm shift that was regained in the next. In accordance with Kuhn's expectation that textbooks sweep Kuhn losses under the rug, Van Vleck did not mention this particular Kuhn loss anywhere in his 1926 NRC Bulletin (though he prominently did flag a Kuhn loss in dispersion theory that had recently been regained). Contrary to Kuhn's expectations, however, he put the regained Kuhn loss in susceptibility theory to good pedagogical use in his 1932 book. Kuhn claimed that textbooks must suppress, truncate, and/or distort the prehistory of their subject matter if they are to inculcate the exemplars of the new paradigm in their readers. This claim is not borne out in this case. Because of the continuity of formalism and technique that we draw attention to that Van Vleck could achieve his pedagogical objectives in his 1932 book even though he devoted about a third of it to the treatment of susceptibilities in classical theory and the old quantum theory in a way that matches the historical record reasonably well.Comment: This paper will be published in: Massimiliano Badino and Jaume Navarro (eds.), Research and Pedagogy: A History of Early Quantum Physics through its Textbooks, Berlin: Edition Open Access, forthcoming. This volume is part of a larger project on the history of quantum physics of the Max Planck Institute for History of Science in Berli

The trouble with orbits: the Stark effect in the old and the new quantum theory

The old quantum theory and Schr\"odinger's wave mechanics (and other forms of quantum mechanics) give the same results for the line splittings in the first-order Stark effect in hydrogen, the leading terms in the splitting of the spectral lines emitted by a hydrogen atom in an external electric field. We examine the account of the effect in the old quantum theory, which was hailed as a major success of that theory, from the point of view of wave mechanics. First, we show how the new quantum mechanics solves a fundamental problem one runs into in the old quantum theory with the Stark effect. It turns out that, even without an external field, it depends on the coordinates in which the quantum conditions are imposed which electron orbits are allowed in a hydrogen atom. The allowed energy levels and hence the line splittings are independent of the coordinates used but the size and eccentricity of the orbits are not. In the new quantum theory, this worrisome non-uniqueness of orbits turns into the perfectly innocuous non-uniqueness of bases in Hilbert space. Second, we review how the so-called WKB (Wentzel-Kramers-Brillouin) approximation method for solving the Schr\"odinger equation reproduces the quantum conditions of the old quantum theory amended by some additional half-integer terms. These extra terms remove the need for some arbitrary extra restrictions on the allowed orbits that the old quantum theory required over and above the basic quantum condition

Pascual Jordan's resolution of the conundrum of the wave-particle duality of light

In 1909, Einstein derived a formula for the mean square energy fluctuation in black-body radiation. This formula is the sum of a wave term and a particle term. In a key contribution to the 1925 Dreimaennerarbeit with Born and Heisenberg, Jordan showed that one recovers both terms in a simple model of quantized waves. So the two terms do not require separate mechanisms but arise from a single consistent dynamical framework. Several authors have argued that various infinities invalidate Jordan's conclusions. In this paper, we defend Jordan's argument against such criticism. In particular, we note that the fluctuation in a narrow frequency range, which is what Jordan calculated, is perfectly finite. We also note, however, that Jordan's argument is incomplete. In modern terms, Jordan calculated the quantum uncertainty in the energy of a subsystem in an energy eigenstate of the whole system, whereas the thermal fluctuation is the average of this quantity over an ensemble of such states. Still, our overall conclusion is that Jordan's argument is basically sound and that he deserves credit for resolving a major conundrum in the development of quantum physics.Comment: This paper was written as part of a joint project in the history of quantum physics of the Max Planck Institut fuer Wissenschaftsgeschichte and the Fritz Haber Institut in Berli

Efficient dielectric matrix calculations using the Lanczos algorithm for fast many-body G0W0G_0W_0 implementations

We present a $G_0W_0$ implementation that assesses the two major bottlenecks of traditional plane-waves implementations, the summations over conduction states and the inversion of the dielectric matrix, without introducing new approximations in the formalism. The first bottleneck is circumvented by converting the summations into Sternheimer equations. Then, the novel avenue of expressing the dielectric matrix in a Lanczos basis is developed, which reduces the matrix size by orders of magnitude while being computationally efficient. We also develop a model dielectric operator that allows us to further reduce the size of the dielectric matrix without accuracy loss. Furthermore, we develop a scheme that reduces the numerical cost of the contour deformation technique to the level of the lightest plasmon pole model. Finally, the use of the simplified quasi-minimal residual scheme in replacement of the conjugate gradients algorithm allows a direct evaluation of the $G_0W_0$ corrections at the desired real frequencies, without need for analytical continuation. The performance of the resulting $G_0W_0$ implementation is demonstrated by comparison with a traditional plane-waves implementation, which reveals a 500-fold speedup for the silane molecule. Finally, the accuracy of our $G_0W_0$ implementation is demonstrated by comparison with other $G_0W_0$ calculations and experimental results.Comment: 19 pages, 2 figure

Quantization Conditions, 1900–1927

We trace the evolution of quantization conditions from Planck's introduction of a new fundamental constant (h) in his treatment of blackbody radiation in 1900 to Heisenberg's interpretation of the commutation relations of modern quantum mechanics in terms of his uncertainty principle in 1927

Sleeping Beauty on Monty Hall

Inspired by the Monty Hall Problem and a popular simple solution to it, we present a simple solution to the notorious Sleeping Beauty Problem. We replace the awakenings of Sleeping Beauty by contestants on a game show like Monty Hall’s and we increase the number of awakenings/contestants in the same way that the number of doors in the Monty Hall Problem is increased to make it easier to see what the solution to the problem is. We show that the Sleeping Beauty Problem and variations on it can be solved through simple applications of Bayes’s theorem. This means that we will phrase our analysis in terms of credences or degrees of belief. We will also rephrase our analysis, however, in terms of relative frequencies. Overall, our paper is intended to showcase, in a simple yet non-trivial example, the efficacy of a tried-and- true strategy for addressing problems in philosophy of science, i.e., develop a model for the problem and vary its parameters. Given that the Sleeping Beauty Problem, much more so than the Monty Hall Problem, challenges the intuitions about probabilities of many when they first encounter it, the application of this strategy to this conundrum, we believe, is pedagogically useful