Related papers: Mapping the Generator Coordinate Method to the Cou…
A new method of calculating pairing correlations in coordinate space with finite range interactions is presented. In the Hartree-Fock-Bogoliubov (HFB) approach the mean field part is derived from a Skyrme-type force whereas the pairing…
This paper considers the problem of estimating a matrix that encodes pairwise distances in a finite metric space (or, more generally, the edge weight matrix of a network) under the barycentric coding model (BCM) with respect to the…
We present the first implementation in the $(\beta,\gamma)$ plane of the generator coordinate method with full triaxial angular momentum and particle number projected wave functions using the Gogny force. Technical details about the…
Ab initio GW calculations are a standard method for computing the spectroscopic properties of many materials. The most computationally expensive part in conventional implementations of the method is the generation and summation over the…
In this work, we extend the x-ray constrained wavefunction fitting approach, a key method in quantum crystallography for charge density reconstruction, to incorporate experimental observables beyond x-ray diffraction. Unlike traditional…
HVDC-connected offshore wind power plants (OWPPs) are expected to provide inertial response and frequency containment reserve (FCR) to help address the frequency control challenges caused by the growing penetration of power electronics in…
In this paper, we propose novel modulation concepts that we call weak composition modulation (WCM) and composition modulation (CM). We use weak and strict compositions of an integer to form codewords of WCM and CM, respectively. For the…
The Goldstone-Brueckner perturbation theory is extended to incorporate in a simple way correlations associated with large amplitude collective motions in nuclei. The new energy expansion making use of non-orthogonal vacua still allows to…
We propose an iterative solution method for the 3D high-frequency Helmholtz equation that exploits a contour integral formulation of spectral projectors. In this framework, the solution in certain invariant subspaces is approximated by…
The $GW$ method for calculating quasi-particle energies of solids commonly begin from a DFT Hamiltonian and Kohn-Sham orbitals in a plane wave basis. Screening of the coulomb interaction is implemented using the inverse dielectric function…
In single-reference coupled-cluster (CC) methods, one has to solve a set of non-linear polynomial equations in order to determine the so-called amplitudes which are then used to compute the energy and other properties. Although it is of…
The unitary coupled cluster (UCC) approximation is one of the more promising wave-function ans\"atze for electronic structure calculations on quantum computers via the variational quantum eigensolver algorithm. However, for large systems…
In this work, we adopt the Gradient Projection Method (GPM) to problems of quantum control. For general $N$-level closed and open quantum systems, we derive the corresponding adjoint systems and gradients of the objective functionals, and…
We generalize the family of approximate momentum average methods to formulate a numerically exact, convergent hierarchy of equations whose solution provides an efficient algorithm to compute the Green's function of a particle dressed by…
We investigate the constant-modulus (CM) waveform design for dual-function radar communication systems in the presence of clutter.To minimize the interference power and enhance the target acquisition performance, we use the…
We propose a modified coupled cluster Monte Carlo algorithm that stochastically samples connected terms within the truncated Baker--Campbell--Hausdorff expansion of the similarity transformed Hamiltonian by construction of coupled cluster…
Coupled-cluster (CC) theory and Green's function many-body perturbation theory (MBPT) have long evolved as distinct yet complementary frameworks for describing electronic correlation. While CC methods employ exponential wavefunction…
We investigate truncation schemes to reduce the computational cost of calculating correlations by the generator coordinate method based on mean-field wave functions. As our test nuclei, we take examples for which accurate calculations are…
Hedin's scheme is solved with the inclusion of the vertex function ($GW\Gamma$) for a set of small molecules. The computational scheme allows for the consistent inclusion of the vertex both at the polarizability level and in the…
Hamiltonian Monte Carlo (HMC) has become routinely used for sampling from posterior distributions. Its extension Riemann manifold HMC (RMHMC) modifies the proposal kernel through distortion of local distances by a Riemannian metric. The…