Related papers: Geminal-Based Configuration Interaction
The coexistence of various low-lying deformed states in $^{42}$Ca and $\alpha$--$^{38}$Ar correlations in those deformed states have been investigated using deformed-basis antisymmetrized molecular dynamics. Wave functions of the low-lying…
As the economic and environmental costs of training and deploying large vision or language models increase dramatically, analog in-memory computing (AIMC) emerges as a promising energy-efficient solution. However, the training perspective,…
The atomic cluster expansion (ACE) has been highly successful for the parameterisation of symmetric (invariant or equivariant) properties of many-particle systems. Here, we generalize its derivation to anti-symmetric functions. We show how…
In Binder's approach the reduced interface tension sigma of the Ising model in the broken phase is determined from the finite volume effects of the partition function Z(M) at fixed total magnetization M. For small |M| the partition function…
Non-empirical effective contact pairing forces to be used in self-consistent mean-field calculations are presented. These pairing forces, constructed so as to reproduce exactly any given microscopic pairing gaps in infinite homogeneous…
Guided-wave plasmonic circuits are promising platforms for sensing, interconnection, and quantum applications in the sub-diffraction regime. Nonetheless, the loss-confinement trade-off remains a collective bottleneck for plasmonic-enhanced…
The Gaussian process (GP) is a nonparametric prior distribution over functions indexed by time, space, or other high-dimensional index set. The GP is a flexible model yet its limitation is given by its very nature: it can only model…
Qualitatively incorrect results are obtained for the Mn dimer in density functional theory calculations using the generalized gradient approximation (GGA) and similar results are obtained from local density and meta-GGA functionals. The…
We introduce a structure for the directed acyclic graph (DAG) and a mechanism design based on that structure so that peers can reach consensus at large scale based on proof of work (PoW). We also design a mempool transaction assignment…
We propose a theoretical framework for reconstructing tip-surface interactions using the intermodulation technique when more than one eigenmode is required to describe the cantilever motion. Two particular cases of bimodal motion are…
We propose an operator generalization of the Li-Haldane conjecture regarding the entanglement Hamiltonian of a disk in a 2+1D chiral gapped groundstate. The logic applies to regions with sharp corners, from which we derive several universal…
Power distribution systems experience a large-scale integration of Converter-Interfaced Distributed Energy Resources (CIDERs). As acknowledged by recent literature, the interaction of individual CIDER components and different CIDERs through…
The Adiabatic Connection Integrand Interpolation (ACII) method represents a general path for calculating correlation energies in electronic systems within the Den sity Functional Theory. ACII functionals include both exact-exchange and the…
Integrated sensing and communication (ISAC) for next-generation networks targets robust operation under high mobility and high Doppler spread, leading to severe inter-carrier interference (ICI) in systems based on orthogonal…
Recent works on massive multiple-input multiple-output (MIMO) have shown that a potential breakthrough in capacity gains can be achieved by deploying a very large number of antennas at the basestation. In order to achieve the performance…
We examine the performance of a recently developed nonlocal density functional in predicting a model noncovalent interaction, the weak bond between an aromatic $\pi$ system and an aliphatic C-H group. The new functional is a significant…
We demonstrate that vacancies can induce topologically protected localized electronic excitations within the bulk of a topological insulator, and when sufficiently close, give rise to one-dimensional propagating chiral bulk modes. We show…
Symmetry-driven phenomena arising in nonlocal metasurfaces supporting quasi-bound states in the continuum (q-BICs) have been opening new avenues to tailor enhanced light-matter interactions via perturbative design principles. Geometric…
We study the iron dimer by using an accurate ansatz for quantum chemical calculations based on a simple variational wave function, defined by a single geminal expanded in molecular orbitals and combined with a real space correlation factor.…
Hydrogenation of amorphous silicon (a-Si:H) is critical for reducing defect densities, passivating mid-gap states and surfaces, and improving photoconductivity in silicon-based electro-optical devices. Modelling the atomic scale structure…