Related papers: iOI: an Iterative Orbital Interaction Approach for…
The realization of quantum advantage with noisy-intermediate-scale quantum (NISQ) machines has become one of the major challenges in computational sciences. Maintaining coherence of a physical system with more than ten qubits is a critical…
The envelope theory, also known as the auxiliary field method, is a simple technique to compute approximate solutions of Hamiltonians for $N$ identical particles in $D$ dimensions. The quality of the approximate eigenvalues can be improved…
We develop information field theory (IFT) as a means of Bayesian inference on spatially distributed signals, the information fields. A didactical approach is attempted. Starting from general considerations on the nature of measurements,…
Single scale Feynman integrals in quantum field theories obey difference or differential equations with respect to their discrete parameter $N$ or continuous parameter $x$. The analysis of these equations reveals to which order they…
Perdew-Zunger self-interaction correction (PZ-SIC) offers a route to remove self-interaction errors on an orbital-by-orbital basis. A recent formulation of PZ-SIC by Pederson, Ruzsinszky and Perdew proposes restricting the unitary…
We present a multiscale atomistic-to-continuum method for ionic crystals with defects. Defects often play a central role in ionic and electronic solids, not only to limit reliability, but more importantly to enable the functionalities that…
The problem of decentralized multiple Point of Interests (PoIs) detection and associated task completion in an unknown environment with multiple resource-constrained and self-interested Unmanned Aerial Vehicles (UAVs) is studied. The UAVs…
Coupled cluster (CC) methods are among the most accurate methods in quantum chemistry. However, the standard CC linear response formulation is not gauge invariant resulting in errors when modelling properties like optical rotation and…
The Dirac-Coulomb equation for helium-like ions is solved using the iterative self-consistent field method, with Slater-type spinor orbitals as the basis. These orbitals inherently satisfy the kinetic-balance condition due to their coupling…
A heterogeneous and dilute suspension of catalytically active colloids is studied as a non-equilibrium analogue of ionic systems, which has the remarkable feature of action-reaction symmetry breaking. Symmetrically coated colloids are found…
We present the so-called Liouville-Neumann (LN) approach to nonequilibrium quantum fields. The LN approach unifies the functional Schr\"{o}dinger equation and the LN equation for time-independent or time-dependent quantum systems and for…
Continuous-variable (CV) quantum systems offer a natural framework for continuous optimization through their infinite-dimensional Hilbert spaces. In this paper, we propose the Complex Continuous-Variable Quantum Approximate Optimization…
Nuclear quantum phenomena beyond the Born-Oppenheimer approximation are known to play an important role in a growing number of chemical and biological processes. While there exists no unique consensus on a rigorous and efficient…
The CFIE used for solving scattering and radiation problems, although a resonance-free formulation, suffers from an ill-conditioning that strongly depends on the frequency and discretization density, both in the low- and high-frequency…
Full configuration interaction (FCI) solvers are limited to small basis sets due to their expensive computational costs. An optimal orbital selection for FCI (OptOrbFCI) is proposed to boost the power of existing FCI solvers to pursue the…
Recently, Jordan et al. (Nature, 2025) introduced a novel quantum-algorithmic technique called Decoded Quantum Interferometry (DQI) for solving specific combinatorial optimization problems associated with classical codes. They presented a…
Interference Alignment (IA) is the process of designing signals in such a way that they cast overlapping shadows at their unintended receivers, while remaining distinguishable at the intended ones. Our goal in this paper is to come up with…
The ground state of atoms from H to Ar was calculated using a self-interaction correction to local and gradient dependent density functionals. The correction can significantly improve the total energy and makes the orbital energies…
The recently proposed interior boundary conditions approach [S. Teufel and R. Tumulka: Avoiding Ultraviolet Divergence by Means of Interior Boundary Conditions, arXiv:1506.00497] is a method for defining Hamiltonians without UV divergence…
In this paper, the problem of finite horizon inverse optimal control (IOC) is investigated, where the quadratic cost function of a dynamic process is required to be recovered based on the observation of optimal control sequences. We propose…