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The strong interaction, i.e., quantum chromodynamics at the low energy nuclear regime, is notoriously known to be challenging for predictive modeling. Here, we use the simplest possible nuclear effective field theory (EFT), and show that in…
Structure factors obtained from diffraction experiments are one of the most important quantities for characterizing the electronic and structural properties of materials. Methods for calculating this quantity from plane-wave density…
Effective field theory (EFT) formulations of dark matter interactions have proven to be a convenient and popular way to quantify LHC bounds on dark matter. However, some of the non-renormalizable EFT operators considered do not respect the…
We propose a unique scheme to construct fully optimized atomic basis sets for density-functional calculations. The shapes of the radial functions are optimized by minimizing the {\it spillage} of the wave functions between the atomic…
We describe a general procedure to construct the independent and complete operator bases for generic Lorentz invariant effective field theories, given any kind of gauge symmetry and field content, up to any mass dimension. By considering…
We study models that give rise to scalar-tensor effective field theories (EFTs) at low energies. Our framework involves massive particles of spin $S=0, 1/2, 1$ coupled to gravity and to a real massless scalar in the UV. Integrating out the…
The energy density method is generalized to include spin polarization with the full formalism derived based on spin-density functional theory, which aims at decomposing the total energy into well-defined atomic energies. The method involves…
First-principles density functional theory (DFT) codes which employ a localized basis offer advantages over those which use plane-wave bases, such as better scaling with system size and better suitability to low-dimensional systems. The…
Using a computationally inexpensive frozen phonon approach we have developed a technique which can be used to screen large unit cell materials and systems for enhanced superconducting critical temperatures. The method requires only density…
In this chapter, we demonstrate a general formulation of the Finite Element Method allowing to calculate the diffraction efficiencies from the electromagnetic field diffracted by arbitrarily shaped gratings embedded in a multilayered stack…
Given the widespread use of density functional theory (DFT), there is an increasing need for the ability to model large systems (beyond 1,000 atoms). We present a brief overview of the large-scale DFT code Conquest, which is capable of…
We analyze the low-energy spin structure of the nucleon in a covariant effective field theory with explicit spin-3/2 degrees of freedom to third order in the small scale expansion. Using the available data on the strong and electromagnetic…
We have developed a new self-consistent scheme of generating variational basis based on the exactdiagonalization, which can be applied efficiently to various types of electron-phonon systems. This scheme is quite general and brings down the…
A new scheme for constructing approximate effective electron potentials within density-functional theory is proposed. The scheme consists of calculating the effective potential for a series of reference systems, and then using these…
The spin polarization of heavy quarks in heavy-ion collisions at the LHC is estimated from effective field theories (EFTs). One EFT is similar to the HQET used at zero temperature. This gives a coupling of the heavy quark spin to colour and…
The nuclear-electronic orbital (NEO) method is a well-established approach for treating nuclei quantum mechanically in molecular systems beyond the usual Born-Oppenheimer approximation. In this work, we present a strategy to implement the…
We develop methods to obtain the fully differential cross-section for the $f \bar{f} \to Z(\ell\ell)\,h$ process to any desired order in effective field theory (EFT). To achieve this, we first derive a mapping between the partial wave…
We construct an effective field theory (EFT) description of the hard photon spectrum for heavy WIMP annihilation. This facilitates precision predictions relevant for line searches, and allows the incorporation of non-trivial energy…
We develop an effective field theory of a generic massive particle of any spin and, as an example, apply this to study higher-spin dark matter (DM). Our formalism does not introduce unphysical degrees of freedom, thus avoiding the potential…
Assuming that cosmological dark matter consists of weakly interacting massive particles, we use the recent precise measurement of cosmological parameters to predict the guaranteed rates of production of such particles in association with…