相关论文: MAP: an MP2 accuracy predictor for weak interactio…

Despite their high accuracy, standard coupled cluster models cannot be used for nonadiabatic molecular dynamics simulations because they yield unphysical complex excitation energies at conical intersections between same-symmetry excited…

We discuss the determination of the strong coupling $\alpha_\mathrm{\overline{MS}}^{}(m_\mathrm{Z})$ or equivalently the QCD $\Lambda$-parameter. Its determination requires the use of perturbation theory in $\alpha_s(\mu)$ in some scheme,…

Channel and frequency offset estimation is a classic topic with a large body of prior work using mainly maximum likelihood (ML) approach together with Cram\'er-Rao Lower bounds (CRLB) analysis. We provide the maximum a posteriori (MAP)…

Maximum a posteriori (MAP) inference is an important task for graphical models. Due to complex dependencies among variables in realistic model, finding an exact solution for MAP inference is often intractable. Thus, many approximation…

We consider the ``modified Minimal Analytic'' (mMA) coupling that involves an infrared cut to the standard MA coupling. The mMA coupling is a Stieltjes function and, as a consequence, the paradiagonal Pade approximants converge to the…

We present second-order molecular cluster perturbation theory (MCPT(2)), a linear scaling methodology to calculate arbitrarily large systems with explicit calculation of individual wavefunctions in a coupled-cluster framework. This new…

Quantum Monte Carlo is used to investigate the possibility of d_{x^2-y^2} superconductivity in the two-dimensional repulsive Hubbard model. A small energy scale relevant to possible pairing requires a care (i.e., sufficiently small level…

Perturbative approaches are methods to efficiently tackle many-body problems, offering both intuitive insights and analysis of correlation effects. However, their application to systems where light and matter are strongly coupled is…

Angle power spectrum (APS) characterizes the directional distribution of received signal power and is directly relevant to beam management and MIMO processing. While environment-aware learning has been widely studied for radio maps and path…

We construct a nearest-neighbor Hamiltonian whose ground states encode the solutions to the NP-complete problem INDEPENDENT SET in cubic planar graphs. The Hamiltonian can be easily simulated by Ising interactions between adjacent particles…

Single-reference methods such as Hartree-Fock-based coupled cluster theory are well known for their accuracy and efficiency for weakly correlated systems. For strongly correlated systems, more sophisticated methods are needed. Recent…

We develop the method of adiabatic tracking for photo- and magneto-association of Bose-Einstein atomic condensates with models that include Kerr type nonlinearities. We show that the inclusion of these terms can produce qualitatively…

A spatially one dimensional coupled map lattice possessing the same symmetries as the Miller Huse model is introduced. Our model is studied analytically by means of a formal perturbation expansion which uses weak coupling and the vicinity…

We are interested in the problem of classifying Multivariate Hawkes Processes (MHP) paths coming from several classes. MHP form a versatile family of point processes that models interactions between connected individuals within a network.…

For multi-level time-dependent quantum systems one can construct superadiabatic representations in which the coupling between separated levels is exponentially small in the adiabatic limit. Based on results from [BeTe1] for special…

An extremely easy method for accurately calculating the adiabatic connection of density functional theory is presented, and its accuracy tested on both Hooke's atom and the He atom. The method is easy because calculations are needed only…

We extend the rigorous adiabatic coupled-channel formalism to ultracold nonreactive atom-molecule collisions in the presence of an external magnetic field. The wavefunction of the collision complex is expanded in adiabatic basis states…

Methods of the explicitly correlated F12 approach are applied to the problem of calculating the uncoupled second-order dispersion energy in symmetry-adapted perturbation theory. The accuracy of the new method is tested for noncovalently…

A simple and commonly employed approximate technique with which one can examine spatially disordered systems when strong electronic correlations are present is based on the use of real-space unrestricted self-consistent Hartree-Fock wave…

We present the application of the recently developed one-body M{\o}ller--Plesset perturbation theory (OBMP2) to the prediction of K-edge excited states. OBMP2 is a self-consistent perturbation theory in which a canonical transformation…