Related papers: Orthogonally Constrained Orbital Optimization: ass…
In atomic, molecular, and nuclear physics, the method of complex coordinate rotation is a widely used theoretical tool for studying resonant states. Here, we propose a novel implementation of this method based on the gradient optimization…
In this chapter, we are concerned with inverse optimal control problems, i.e., optimization models which are used to identify parameters in optimal control problems from given measurements. Here, we focus on linear-quadratic optimal control…
In this paper, we propose a parallel optimization method for electronic structure calculations based on a single orbital-updating approximation. It is shown by our numerical experiments that the method is efficient and reliable for atomic…
The recently proposed excitonic renormalization framework presents an alternative ansatz to elec- tronic structure theory of weakly interacting fragments. It makes use of absolutely localized orbitals and correlated states evaluated on…
We report the derivation and implementation of orbital optimization algorithms for the active space decomposition (ASD) model, which are extensions of complete active space self-consistent field (CASSCF) and its occupation-restricted…
We consider a distributed optimal control problem subject to a parabolic evolution equation as constraint. The control will be considered in the energy norm of the anisotropic Sobolev space $[H_{0;,0}^{1,1/2}(Q)]^\ast$, such that the state…
In our recent work \cite{StojnicHopBnds10} we looked at a class of random optimization problems that arise in the forms typically known as Hopfield models. We viewed two scenarios which we termed as the positive Hopfield form and the…
Measuring the closest distance between two states is an alternative and significant approach in the resource quantification, which is the core task in the resource theory. Quite limited progress has been made for this approach even in…
We show that entanglement guarantees difficulty in the discrimination of orthogonal multipartite states locally. The number of pure states that can be discriminated by local operations and classical communication is bounded by the total…
We propose nearly-optimal control strategies for changing states of a quantum system. We argue that quantum control optimization can be studied analytically within some protocol families that depend on a small set of parameters for…
The preparation of quantum states, especially cooling, is a fundamental technology for nanoscale devices. The past decade has seen important results related to both the limits of state transformation and the limits to their efficiency --…
Motivated by thermodynamic considerations, we analyse the variation of the quantum mutual information on a unitary orbit of a bipartite system's state, with and without global constraints such as energy conservation. We solve the full…
Trajectory optimization of low-thrust perturbed orbit rendezvous is a crucial technology for space missions in low Earth orbits, which is difficult to solve due to its initial value sensitivity, especially when the transfer trajectory has…
We apply a recently developed stochastic method to the Shastry-Sutherland model on 4x4 and 8x8 lattices. This method, which we call the Stochastic State Selection Method here, enables us to evaluate expectation values of powers of the…
With electron filling $n=1$ in the $\rm Sr_2VO_4$ compound, the octahedrally coordinated $t_{\rm 2g}$ orbitals are strongly active due to tetragonal distortion induced crystal field tuning by external agent such as pressure. Considering the…
We consider the actions of protocols involving local quantum operations and classical communication (LQCC) on a single system consisting of two separated qubits. We give a complete description of the orbits of the space of states under LQCC…
We derive an automatic procedure for generating a set of highly localized, non-orthogonal orbitals for linear scaling quantum Monte Carlo calculations. We demonstrate the advantage of these orbitals in calculations of the total energy of…
The orbital-selective Mott phase (OSMP) of multiorbital Hubbard models has been extensively analyzed before using static and dynamical mean-field approximations. In parallel, the properties of Block states (antiferromagnetically coupled…
Despite significant work on resource estimation for quantum simulation of electronic systems, the challenge of preparing states with sufficient ground state support has so far been largely neglected. In this work we investigate this issue…
In exploratory factor analysis, rotation techniques are employed to derive interpretable factor loading matrices. Factor rotations deal with equality-constrained optimization problems aimed at determining a loading matrix based on measure…