相关论文: Orthogonally Constrained Orbital Optimization: ass…

For many applications the presence of a quantum advantage crucially depends on the availability of resourceful states. Although the resource typically depends on the particular task, in the context of multipartite systems entangled quantum…

Herein, we present a new method to efficiently calculate electronically excited states in large molecular assemblies, consisting of hundreds of molecules. For this purpose, we combine the long-range corrected tight-binding…

We consider a spacecraft formation reconfiguration problem in the case of identical spacecraft. This introduces in the optimal reconfiguration problem a permutational degree of freedom, in addition to the choice of individual spacecraft…

The problem of optimization on Stiefel manifold, i.e., minimizing functions of (not necessarily square) matrices that satisfy orthogonality constraints, has been extensively studied. Yet, a new approach is proposed based on, for the first…

This paper details a methodology to transcribe an optimal control problem into a nonlinear program for generation of the trajectories that optimize a given functional by approximating only the highest order derivatives of a given system's…

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…

In this work, we investigate a particular class of shape optimization problems under uncertainties on the input parameters. More precisely, we are interested in the minimization of the expectation of a quadratic objective in a situation…

We investigate the application of matrix product states to the Hubbard model in one spatial dimension with both of open and periodic boundary conditions. We develop the variatinal method that the optimization of the variational parameters…

In this paper we consider a constrained parabolic optimal control problem. The cost functional is quadratic and it combines the distance of the trajectory of the system from the desired evolution profile together with the cost of a control.…

In this paper, we improve upon a method for optimal control of quadrupedal robots which utilizes a full-order model of the system. The original method utilizes offline nonlinear optimal control to synthesize a control scheme which…

A simple procedure is developed to determine orbital elements of an object orbiting in a central force field which contribute more than three independent celestial positions. By manipulation of formal three point Gauss method of orbit…

We consider a one dimensional elliptic distributed optimal control problem with pointwise constraints on the derivative of the state. By exploiting the variational inequality satisfied by the derivative of the optimal state, we obtain…

Unitary Coupled Cluster (UCC) theory is a promising variational method for electronic structure calculations, especially for strongly correlated systems and quantum computers. However, its practical application is limited by the steep…

Configuration Interaction (CI) calculations on the ground state of the C atom are carried out using a small basis set of Slater orbitals [7s6p5d4f3g]. The configurations are selected according to their contribution to the total energy. One…

In this work we propose tailored model order reduction for varying boundary optimal control problems governed by parametric partial differential equations. With varying boundary control, we mean that a specific parameter changes where the…

We study the problem of discriminating between non-orthogonal quantum states with least probability of error. We demonstrate that this problem can be simplified if we solve for the error itself rather than solving directly for the optimal…

The optimal N qubit states featuring highest sensitivity to small misalignment of cartesian reference frames are found using the Quantum Cramer-Rao bound. It is shown that the optimal states are supported on the symmetric subspace and hence…

We introduce a novel approach to perform first-order optimization with orthogonal and unitary constraints. This approach is based on a parametrization stemming from Lie group theory through the exponential map. The parametrization…

We address the problem, not of the determination -- which usually needs numerical methods -- but of an accurate analytical estimation of the distance of a raw elasticity tensor to cubic symmetry and to orthotropy. We point out that there…

Determining the physical Hilbert space is often considered the most difficult but crucial part of completing the quantization of a constrained system. In such a situation it can be more economical to use effective constraint methods, which…