Beyond Conventional Density Functional Theory: Advanced Quantum Dynamical Methods for Understanding Degradation of Per- and Polyfluoroalkyl Substances
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Bohmian mechanics has garnered significant attention as an interpretation of quantum theory since the paradigmatic experiments which inferred the average trajectories of photons in the nonrelativistic regime. These experiments were largely motivated by Wiseman's formulation of Bohmian mechanics, which grounded these trajectories in weak measurements. Recently, Wiseman's framework was extended to the relativistic regime by expressing the velocity field of single photons in terms of weak values of the photon energy and momentum. Here, we propose an operational, weak value-based definition for the Bohmian “local mass” of relativistic single particles. For relativistic wave functions satisfying the scalar Klein-Gordon equation, this mass coincides with the effective mass defined by de Broglie in his relativistic pilot-wave theory, a quantity closely connected with the quantum potential that is responsible for Bohmian trajectory self-bending and the anomalous photoelectric effect. Here, we demonstrate the relationship between the photon trajectories and the mass in an interferometric setup.
Correlated many-fermion systems emerge in a broad range of phenomena in warm dense matter, plasmonics, and ultracold atoms. Quantum hydrodynamics (QHD) complements first-principles methods for many-fermion systems at larger scales. We illustrate the failure of the standard Bohm potential central to QHD for strong perturbations when the density perturbation is larger than about 10^{-3} 10 − 3 of the mean density. We then extend QHD to this regime via the many-fermion Bohm potential from first-principles. This may lead to more accurate QHD simulations beyond their common application domain in the presence of strong perturbations at scales unattainable with first-principles methods.
It is well known that the MHV action, i.e. the action containing all the maximally helicity violating vertices, is alone not sufficient for loop computations. In order to develop loop contributions systematically and to ensure that there are no missing terms, we propose to formulate the quantum MHV action via one-loop effective action approach. The quadratic field fluctuations in the light cone Yang-Mills theory are explicitly integrated, followed by the classical canonical field transformation. We test the approach by calculating one loop (++++) and (+++) amplitudes, i.e. amplitudes that cannot be calculated from ordinary MHV action. Such an approach can be further used to unambiguously define loop corrections in other theories related to Yang-Mills theory by field transformations.
We investigate photon, pion, and 𝜌-meson production from proton synchrotron radiation in the presence of strong magnetic fields. The proton decay widths and the luminosities of the emitted particles are calculated within a relativistic quantum framework that incorporates Landau quantization. A scaling rule is derived for the transition probability between different Landau levels. This allows an evaluation of transitions for extremely high Landau numbers exceeding 10 15 . Furthermore, we calculate the momentum distribution of the emitted particles by properly including the proton recoil effect associated with particle emission. The results differ significantly from conventional semiclassical approaches.
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The degrees of freedom that confer to strongly correlated systems their many intriguing properties also render them fairly intractable through typical perturbative treatments. For this reason, the mechanisms responsible for their technologically promising properties remain mostly elusive. Computational approaches have played a major role in efforts to fill this void. In particular, dynamical mean field theory and its cluster extension, the dynamical cluster approximation have allowed significant progress. However, despite all the insightful results of these embedding schemes, computational constraints, such as the minus sign problem in quantum Monte Carlo (QMC), and the exponential growth of the Hilbert space in exact diagonalization (ED) methods, still limit the length scale within which correlations can be treated exactly in the formalism. A recent advance aiming to overcome these difficulties is the development of multiscale many body approaches whereby this challenge is addressed by introducing an intermediate length scale between the short length scale where correlations are treated exactly using a cluster solver such QMC or ED, and the long length scale where correlations are treated in a mean field manner. At this intermediate length scale correlations can be treated perturbatively. This is the essence of multiscale many-body methods. Furthermore, we will review various implementations of these multiscale many-body approaches, the results they have produced, and the outstanding challenges that should be addressed for further advances.
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We consider 2d QFTs as relevant deformations of CFTs in the thermodynamic limit. Using causality and KPZ universality, we place a lower bound on the timescale characterizing the onset of hydrodynamics. The bound is determined parametrically in terms of the temperature and the scale associated with the relevant deformation. This bound is typically much stronger than \frac{1}{T} 1 T , the expected quantum equilibration time. Subluminality of sound further allows us to define a thermodynamic C C -function, and constrain the sign of the T\bar T T T ‾ term in EFTs.
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The trivalent actinides are produced in the nuclear fuel cycle during power production and provide the largest long-term radiation dose in used nuclear fuel. It is ideal for these elements to be removed from used nuclear fuel for disposal and a necessity for fuel recycling. A key challenge to this is the similarity of chemical behavior of the trivalent actinides to the lanthanides that are also present as fission products in used fuel. Thus far, some of the most effective separations of actinides from lanthanides utilise chelating agents containing sulfur moieties such as dithiophosphinates that selectively bind to actinide ions because of a greater bond covalency relative to lanthanide ions. Typically, greater differences between actinide and lanthanide ions are observable the more ligands and chelators bonds have a covalent character. Here, a series of complexes of the trivalent actinides Np(III) through Cf(III) (excluding Bk(III)) with maleonitrile-1,2-dithiolate (mnt 2– ) are synthesized along with their lanthanide counterparts (La(III) – Nd(III), Sm(III) – Gd(III), Dy(III)), in order to characterize the nature of chemical bonds with these metal ions and a polarizable, non-innocent, sulfur-donor ligand. The metal-sulfur bonds in these complexes trend shorter than measured for lanthanides with equivalent ionic radii. However, particularly large deviations are observed in the neptunium and plutonium complexes in both structure and bonding, resulting in a nonlinear bond length trendline for the actinide series. Density Functional Theory (DFT) calculations with Quantum Theory of Atoms in Molecules (QTAIM) and Natural Bond Order (NBO) analyses indicate that for the neptunium and plutonium complexes, the presence of increased 5f-orbital participation, energy degeneracy of the metal and ligand orbitals, and the structure packing result in shortened M–S bonds. The stabilization of the energy of the 5f-orbitals and the decrease in f-contribution to bonding orbitals in the later actinides results in structural properties more similar to the lanthanide complexes.
In this work, we consider XY-spin degrees of freedom on an FCC lattice, such that the system respects some subsystem global symmetry. We then gauge this global symmetry and study the corresponding $U(1)$ gauge theory on the FCC lattice. Surprisingly, this $U(1)$ gauge theory is dual to the original spin system. We also analyze a similar $\mathbb{Z}_N$ gauge theory on that lattice. All these systems are fractonic. The $U(1)$ theories are gapless and the $\mathbb{Z}_N$ theories are gapped. We analyze the continuum limits of all these systems and present free continuum Lagrangians for their low-energy physics. Our $\mathbb{Z}_2$ FCC gauge theory is the continuum limit of the well known checkerboard model of fractons. Our continuum analysis leads to a straightforward proof of the known fact that this theory is dual to two copies of the $\mathbb{Z}_2$ X-cube model. We find new models and new relations between known models. The $\mathbb{Z}_N$ FCC gauge theory can be realized by coupling three copies of an anisotropic model of lineons and planons to a certain exotic $\mathbb{Z}_2$ gauge theory. Also, although for $N=2$ this model is dual to two copies of the $\mathbb{Z}_2$ X-cube model, a similar statement is not true for higher $N$.