Related papers: First-Order Symmetry-Adapted Perturbation Theory w…
First-principles dynamical CPA (Coherent-Potential Approximation) for electron correlations has been developed further by taking into account higher-order dynamical corrections with use of the asymptotic approximation. The theory is applied…
We have in earlier papers presented an extension of Mueller's dipole cascade model, which includes subleading effects from energy conservation and running coupling as well as colour suppressed effects from pomeron loops via a ``dipole…
We present the formalism of Time-dependent Exchange Perturbation Theory (TDEPT) built to all orders of perturbation, for the arbitrary time dependency of perturbation. The theory takes into account the rearrangement of electrons among…
A systematic method to account for electron correlation in periodic systems which can predict quantitatively correct band structures of non-conducting solids from first principles is presented. Using localized Hartree-Fock orbitals (both…
A recent work [arXiv:2401.04685] has merged $N$-centered ensembles of neutral and charged electronic ground states with ensembles of neutral ground and excited states, thus providing a general and in-principle exact (so-called extended…
The correct interpretation of magnetic properties in the weak-exchange regime has remained a challenging task for several decades. In this regime, the effective exchange interaction between local spins is quite weak, of the same order of…
This work implements pionless effective field theory with the two-nucleon system expanded around the unitarity limit at second order perturbation theory. The expansion is found to converge well. All Coulomb effects are treated in…
We will analyze the itinerant model for ferromagnetism with both single-site and two-site electron correlations. We will include band degeneration into the model. This will allow us to consider the on-site exchange interactions in the…
Exchange interactions are a manifestation of the quantum mechanical nature of the electrons and play a key role in predicting the properties of materials from first principles. In density functional theory (DFT), a widely used approximation…
Over the past decade, experimental microscopy and spectroscopy have made significant progress in the study of the morphological, optical, electronic and transport properties of materials. These developments include higher spatial…
The magnetic properties of two-dimensional altermagnets can be obtained from a square lattice Heisenberg model with antiferromagetic nearest neighbor interaction and two types of next-nearest neighbor interactions arranged in a checkerboard…
The influence of the spin-orbit interactions on the energy spectrum of two-electron laterally coupled quantum dots is investigated. The effective Hamiltonian for a spin qubit pair proposed in F. Baruffa et al., Phys. Rev. Lett. 104, 126401…
We present a first-principles methodology, within the context of linear-response theory, that greatly facilitates the perturbative study of physical properties of metallic crystals. Our approach builds on ensemble density-functional theory…
The random phase approximation (RPA) systematically overestimates the magnitude of the correlation energy and generally underestimates cohesive energies. This originates in part from the complete lack of exchange terms, which would…
Two-parameter perturbation theory is a scheme tailor-made to consistently include nonlinear density contrasts on small scales ($<100\; \mathrm{Mpc}$), whilst retaining a traditional approach to cosmological perturbations in the…
We examine the effects of pseudoscalar and pseudovector coupling of the pi and eta mesons in one-boson exchange models of the NN interaction using two approaches: time-ordered perturbation theory unitarized with the relativistic…
We propose an experimental setup of ultracold fermions in an optical lattice to determine the pairing gap in a superfluid state and the spin ordering in a Mott-insulating state. The idea is to apply a periodic modulation of the lattice…
We implement a new and accurate numerical entropic scheme to investigate the first-order transition features of the triangular Ising model with nearest-neighbor ($J_{nn}$) and next-nearest-neighbor ($J_{nnn}$) antiferromagnetic interactions…
In the realm of photochemistry, the significance of double excitations (also known as doubly-excited states), where two electrons are concurrently elevated to higher energy levels, lies in their involvement in key electronic transitions…
Understanding the system-level spectral immittance response of capacitive energy storage devices with analytically tractable physics-based models is not only important for the progress of the technology, but also allows to develop new…