Related papers: Multi-reference extension to virtual crystal appro…
Predicting the conditional evolution of Volterra processes with stochastic volatility is a crucial challenge in mathematical finance. While deep neural network models offer promise in approximating the conditional law of such processes,…
A recently proposed reference potential approach to the inverse Schr\"{o}dinger problem is further developed. As previously, theoretical developments are demonstrated on example of diatomic xenon molecule in its ground electronic state. An…
We present a semiempirical pseudopotential method based on screened atomic pseudopotentials and derived from \textit{ab initio} calculations. This approach is motivated by the demand for pseudopotentials able to address nanostructures,…
We present an extension of the random--phase approximation (RPA) where the RPA phonons are used as building blocks to construct the excited states. In our model, that we call double RPA (DRPA), we include up to two RPA phonons. This is an…
Elastic scattering between $\alpha$-particles and $^{12}\mathrm{C}$ nuclei plays a crucial role in understanding resonance phenomena in light nuclear systems. In this work, we construct inverse potentials for resonant states in…
An alternative multipole expansion of the correlation term is derived. Modified spherical Bessel type functions which simplify as a summation of multiple orders of basic trigonometric functions are generated from this new method. We use…
Consistency between the exchange-correlation (xc) functional used during pseudopotential construction and planewave-based electronic structure calculations is important for an accurate and reliable description of the structure and…
We introduce the nonconforming Virtual Element Method (VEM) for the approximation of second order elliptic problems. We present the construction of the new element in two and three dimensions, highlighting the main differences with the…
The quasi-independent curvilinear coordinate approximation (QUICCA) method [K. N\'emeth and M. Challacombe, J. Chem. Phys. {\bf 121}, 2877, (2004)] is extended to the optimization of crystal structures. We demonstrate that QUICCA is valid…
Quasi-phase-matching (QPM) has enriched the capacity of parametric down-conversion (PDC) in generating biphotons for many fundamental tests and advanced applications. However, it is not clear how the nonidealities and randomness in the QPM…
Simulating Clifford and near-Clifford circuits using the extended stabilizer formalism has become increasingly popular, particularly in quantum error correction. Compared to the state-vector approach, the extended stabilizer formalism can…
Random phase approximation ground state contains electronic configurations where two (and more) identical electrons can occupy the same molecular spin-orbital violating the Pauli exclusion principle. This overcounting of electronic…
The optimized effective potential (OEP) method presents an unambiguous way to construct the Kohn-Sham potential corresponding to a given diagrammatic approximation for the exchange-correlation functional. The OEP from the random-phase…
The decidability of the reachability problem for finitary PCF has been used as a theoretical basis for fully automated verification tools for functional programs. The reachability problem, however, often becomes undecidable for a slight…
This paper deals with the reducibility property of semidirect products of the form $\bf V*\bf D$ relatively to graph equation systems, where $\bf D$ denotes the pseudovariety of definite semigroups. We show that, if the pseudovariety $\bf…
We present a technique for enhancing the estimation of quantum state properties by incorporating approximate prior knowledge about the quantum state of interest. This method involves performing randomized measurements on a quantum processor…
Quantum Monte Carlo methods provide in principle an accurate treatment of the many-body problem of the ground and excited states of condensed systems. In practice, however, uncontrolled errors such as those arising from the fixed-node and…
Variational quantum algorithms (VQAs), as one of the most promising routes in the noisy intermediate-scale quantum (NISQ) era, offer various potential applications while also confront severe challenges due to near-term quantum hardware…
Comment on Phys. Rev. A 79, 052312 (2009), http://pra.aps.org/abstract/PRA/v79/i5/e052312
Efficient arithmetic circuit design for resourceconstrained hardware involves challenging combinatorial optimization problems, among which Multiple Constant Multiplication (MCM) is a prominent example. MCM aims at implementing…