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Density-corrected density functional theory (DC-DFT) is enjoying substantial success in improving semilocal DFT calculations in a wide variety of chemical problems. This paper provides the formal theoretical framework and assumptions for…
Conical intersections are central to the description of photophysics and photochemistry. Nevertheless, in non-adiabatic molecular dynamics simulations, they are fundamentally challenging for single-reference electronic structure methods.…
We propose a new class of holographic dualities between certain, generically non supersymmetric, defect conformal field theories (dCFTs) and their gravity duals. Our construction interpolates between the 1/2-BPS D3-D3 system and its field…
The DFT-$\frac{1}{2}$ method is a band gap correction with GW precision at a DFT computational cost. The method was also extended to correct the gap between defect levels, allowing for the calculation of optical transitions. However, this…
We employ the Fuzzy Sphere regulator to study the 3D Lee-Yang CFT. The model is defined by deforming the Ising model on the Fuzzy Sphere via a purely imaginary longitudinal magnetic field. This model undergoes a quantum phase transition,…
We consider $p$-dimensional defects in $D$-dimensional conformal field theories (CFTs) and construct defect localized entropy by performing Casini-Huerta-Myers transformation for the system with defect. The defect localized entropy is a…
Conformal field theory (CFT) plays a key role in modern theoretical physics. Through CFT we describe real physical systems at criticality and fixed points of the renormalization group flow. It is also central in the study of quantum…
Dynamical density functional theory (DDFT) is a powerful variational framework to study the nonequilibrium properties of colloids by only considering a time-dependent one-body number density. Despite the large number of recent successes,…
Conformal Freeze-in (COFI) scenario postulates a dark sector described by a conformal field theory (CFT) at energies above the ``gap scale" in the keV$-$MeV range. At the gap scale, the dark CFT undergoes confinement, and one of the…
In CFTs, the partition function of a line defect with a cusp depends logarithmically on the size of the line with an angle-dependent coefficient: the cusp anomalous dimension. In the first part of this work, we study the general properties…
We use a combination of AdS/CFT and supersymmetric localization to study codimension-2 defects in 5d SCFTs and their gauge theory deformations. The 5d SCFTs are engineered by $(p,q)$ 5-brane webs, with defects realized by D3-branes ending…
Two-dimensional mixtures of dipolar colloidal particles with different dipole moments exhibit extremely rich self-assembly behaviour and are relevant to a wide range of experimental systems, including charged and super-paramagnetic colloids…
We argue that any general mathematical measure of density error, no matter how reasonable, is too arbitrary to be of universal use. However the energy functional itself provides a universal relevant measure of density errors. For the…
Classical Density Functional Theory (DFT) is a statistical-mechanical framework to analyze fluids, which accounts for nanoscale fluid inhomogeneities and non-local intermolecular interactions. DFT can be applied to a wide range of…
We investigate two aspects of conformal field theories. In the first part, we study the general 4-point correlator of identical scalars around the fully crossing symmetric point $u=v=1$, where $u,v$ are conformally invariant cross ratios.…
Delocalization errors, such as charge-transfer and some self-interaction errors, plague computationally-efficient and otherwise-accurate density functional approximations (DFAs). Evaluating a semi-local DFA non-self-consistently on the…
The $d=2$ critical Ising model is described by an exactly solvable Conformal Field Theory (CFT). The deformation to $d=2+\epsilon$ is a relatively simple system at strong coupling outside of even dimensions. Using novel numerical and…
We study fusion of two scalar Wilson defects. We propose that fusion holds at a quantum level by showing that bare one-point functions stay invariant. This is an expected result as the path integral stays invariant under fusion of the two…
A general framework is developed to study the deformation and stress response in F{\"o}ppl-von K{\'a}rm{\'a}n shallow shells for a given distribution of defects, such as dislocations, disclinations, and interstitials, and metric anomalies,…
In conformal field theories (CFTs) of dimension $d>3$, two-dimensional (2d) conformal defects are characterised in part by central charges defined via the defect's contribution to the trace anomaly. However, in general for interacting CFTs…