Related papers: Improving Guess Geminals for the Geminal Mean Fiel…
We present a computational methodology for a theory of the lowest octupole excitations applicable to all even-even nuclei beyond the lightest. The theory is the well-known generator-coordinate extension (GCM) of the Hartree-Fock-Bogoliubov…
The variational inclusion of spin-orbit coupling in self-consistent field (SCF) calculations requires a generalised two-component framework, which permits the single-determinant wave function to completely break spin symmetry. The…
We derive an exact expression for the orbital magnetization of electrons with short-range interactions (such as density-density interactions) in terms of exact zero-frequency response functions of the zero-field system. The result applies…
We present a new adaptive method for electronic structure calculations based on novel fast algorithms for reduction of multivariate mixtures. In our calculations, spatial orbitals are maintained as Gaussian mixtures whose terms are selected…
Although magnetic frustration in metals provides a promising avenue for novel quantum phenomena, their microscopic interpretation is often challenging. Here we use the face-centered cubic intermetallic HoInCu$_4$ as model material to show…
Ground state preparation is a central application of quantum algorithms for electronic structure. We introduce the classical reservoir approach, a low cost variational ansatz tailored to near-term hardware, requiring only nearest-neighbor…
In this work, we consider general exchangeable quantum mean-field Hamiltonian such as the prominent quantum Curie-Weiss model under the influence of a random external field. Despite being arguably the simplest class of disordered quantum…
In this paper we de ne conditional random elds in reproducing kernel Hilbert spaces and show connections to Gaussian Process classi cation. More speci cally, we prove decomposition results for undirected graphical models and we give…
This short note is devoted to the Hamiltonian formulation of the conformal decomposition of the gravitational field that was performed in [gr-qc/0501092]. We also analyze the gauge fixed form of the theory when we fix the conformal symmetry…
High-order extensions of the Hopfield model are known to exhibit dramatically enhanced storage capacity at equilibrium, while their dynamical retrieval properties remain less well understood. In our previous work, we carried out a dynamical…
We present a novel energy-based localization procedure able to localize molecular orbitals into specific spatial regions. The method is applied to several cases including both conjugated and non-conjugated systems. The obtained localized…
An approach is proposed for evaluating dipolar and multipolar inter-site interactions in strongly correlated materials. This approach is based on the single-site dynamical mean-field theory (DMFT) in conjunction with the atomic…
A Hartree-Bose mean-field approximation for the IBM-3 is presented. A Hartree- Bose transformation from spherical to deformed bosons with charge-dependent parameters is proposed which allows bosonic pair correlations and includes higher…
We introduce a self-consistent mean-field quantum optimization algorithm that approximates the ground state of classical Ising Hamiltonians. The algorithm decomposes the problem into independent subproblems and treats the interactions…
Within the lowest-order relativistic approximation ($\sim v^2/c^2$) and to first order in $m_e/M$, the tensorial form of the relativistic corrections of the nuclear recoil Hamiltonian is derived, opening interesting perspectives for…
We construct finite element de~Rham complexes of higher and possibly non-uniform polynomial order in finite element exterior calculus (FEEC). Starting from the finite element differential complex of lowest-order, known as the complex of…
We demonstrate that a mean field approximation can be confidently employed in quasiperiodic moir\'e systems to treat interactions and quasiperiodicity on equal footing. We obtain the mean field phase diagram for an illustrative…
A semiclassical analysis based on spin-coherent states is used to establish a classification and formulae for the spectral gap of mean-field spin Hamiltonians. For gapped systems we provide a full description of the low-energy spectra based…
In resetting dynamics, a system is repeatedly coupled to and decoupled from ancillary degrees of freedom that are reinitialized between interactions. This provides a versatile route to engineer nonequilibrium steady states and constitutes a…
We apply Projected Hartree-Fock theory (PHF) for approximating ground states of Heisenberg spin clusters. Spin-rotational, point-group and complex-conjugation symmetry are variationally restored from a broken-symmetry mean-field reference,…