Related papers: Mapping the Generator Coordinate Method to the Cou…
The Generalized Method of Moments (GMM) is a partition of unity based technique for solving electromagnetic and acoustic boundary integral equations. Past work on the GMM for electromagnetics was confined to geometries modeled by piecewise…
This work investigates a variant of the conjugate gradient (CG) method and embeds it into the context of high-order finite-element schemes with fast matrix-free operator evaluation and cheap preconditioners like the matrix diagonal. Relying…
In this work we investigate methods to improve the efficiency and scalability of quantum algorithms for quantum chemistry applications. We propose a transformation of the electronic structure Hamiltonian in the second quantization framework…
A generalized contour deformation method (GCDM) which combines complex rotation and translation in momentum space, is discussed. GCDM gives accurate results for bound, virtual (antibound), resonant and scattering states starting with a…
This paper proposes a generalization of the conjugate gradient (CG) method used to solve the equation $Ax=b$ for a symmetric positive definite matrix $A$ of large size $n$. The generalization consists of permitting the scalar control…
The coupled cluster method (CCM) is a powerful and widely applied technique of modern-day quantum many-body theory. It has been used with great success in order to understand the properties of quantum magnets at zero temperature. This is…
Numerous molecular systems, including solutions, proteins, and composite materials, can be modeled using mixed-resolution representations, of which the quantum mechanics/molecular mechanics (QM/MM) approach has become the most widely used.…
In this work, the phase function method (PFM) is employed for the first time to explicitly construct scattering wavefunctions for the $\alpha\alpha$ system using a single-term Morse potential. Unlike earlier PFM-based studies that primarily…
This paper proposes a geomagnetic and inertial combined navigation approach based on the flexible correction-model predictive control algorithm (Fc-MPC). This approach aims to overcome the limitations of existing combined navigation methods…
Simulating molecules using the Variational Quantum Eigensolver method is one of the promising applications for NISQ-era quantum computers. Designing an efficient ansatz to represent the electronic wave function is crucial in such…
The conjugate gradient (CG) method is an efficient iterative method for solving large-scale strongly convex quadratic programming (QP). In this paper we propose some generalized CG (GCG) methods for solving the $\ell_1$-regularized…
This paper presents a computation method of generalized scattering matrix (GSM) based on integral equations and the method of moments (MoM), specifically designed for antennas excited through waveguide ports. By leveraging two distinct…
We discuss the ability of the generator coordinate method (GCM) to select collective states in microscopic calculations. The model studied is a single-$j$ shell with hamiltonian containing the quadrupole-quadrupole interaction. Quadrupole…
Coupled-mode theory (CMT) is a powerful tool for simulating near-harmonic systems. In telecommunications, variations of the theory have been used extensively to study waveguides, both analytically and through numerical modelling. Analogous…
Determining the optimal number and identity of structural clusters from an ensemble of molecular configurations continues to be a challenge. Recent structural clustering methods have focused on the use of internal coordinates due to the…
We report the first study of restoration of rotational symmetry and fluctuations of the quadrupole deformation in the framework of relativistic mean-field models. A model is developed which uses the generator coordinate method to perform…
To avoid the combinatorial computational cost of configuration interaction (CI), we have previously introduced the symmetric tensor decomposition CI (STD-CI) method, where we take advantage of the antisymmetric nature of the electronic wave…
While the diagonalization of a quadratic bosonic form can always be done using a Bogoliubov transformation, the practical implementation for systems with a large number of different bosons is a tedious analytical task. Here we use the…
Topologies of large deformation Contact-aided Compliant Mechanisms (CCMs), with self and mutual contact, exemplified via path generation applications, are designed using the continuum synthesis approach. Design domains are parameterized…
Complex conjugation symmetry breaking and restoration generate two non-orthogonal configurations at the Hartree-Fock level that can capture static correlation naturally. In conjunction with broken spin-symmetry coupled cluster theory, the…