相关论文: Optimizing the Regularization in Size-Consistent S…

We explore the performance of a recently-introduced $N^5$-scaling excited-state-specific second order perturbation theory (ESMP2) on the singlet excitations of the Thiel benchmarking set. We find that, without regularization, ESMP2 is quite…

Electron correlation in finite and extended systems is often described in an effective single-particle framework within the $GW$ approximation. Here, we use the statically screened second-order exchange contribution to the self-energy…

Perturbative QCD with nf flavours of massless quarks becomes simple in the hypothetical limit nf -> 16.5, where the leading beta-function coefficient vanishes. The Banks-Zaks (BZ) expansion in a0=(8/321)(16.5-nf) is straightforward to…

We develop an improved stochastic formalism for the Bethe-Salpeter equation, based on an exact separation of the effective-interaction $W$ to two parts, $W=(W-v_W)+v_W$ where the latter is formally any translationally-invariant interaction…

We revisit the extraction of $\alpha_s(M_\tau^2)$ from the QCDperturbative corrections to the hadronic $\tau$ branching ratio, using an improved fixed-order perturbation theory based on the explicit summation of all renormalization-group…

We present an implementation and analysis of a stochastic high performance algorithm to calculate the correlation energy of three dimensional periodic systems in second-order M{\o}ller-Plesset perturbation theory (MP2). In particular we…

In this work, we introduce a unifying Bregman-based majorization-minimization (MM) framework for solving nonconvex nonsmooth optimization problems. The proposed approach leverages Bregman divergences, possibly varying across iterations, to…

We investigate the $B$ anomalies in the framework of the nonminimal universal extra dimension models. Newly measured polarization parameters in $B\to D^{(*)}\tau\nu$, $P_\tau(D^{(*)})$ and $F_L(D^*)$ as well as the ratios $R(D^{(*)})$ are…

We analyze space-time finite element methods for the numerical solution of distributed parabolic optimal control problems with energy regularization in the Bochner space $L^2(0,T;H^{-1}(\Omega))$. By duality, the related norm can be…

New physics contributions to B_s-\bar{B}_s mixing can be parametrized by the size (r_s^2) and the phase (2\theta_s) of the total mixing amplitude relative to the Standard Model amplitude. The phase has so far been unconstrained. We first…

We present the prediction of the electroweak $\rho$ parameter and the $W$ boson mass in the CP-violating Next-to-Minimal Supersymmetric extension of the Standard Model (NMSSM) at the two-loop order. The $\rho$ parameter is calculated at the…

A regularization algorithm (AR1pGN) for unconstrained nonlinear minimization is considered, which uses a model consisting of a Taylor expansion of arbitrary degree and regularization term involving a possibly non-smooth norm. It is shown…

The random-phase approximation with second-order screened exchange (RPA+SOSEX) is a model of electron correlation energy with two caveats: its accuracy depends on an arbitrary choice of mean field, and it scales as $\mathcal{O}(n^5)$…

The numerical cost of variational methods suggests using perturbative approaches to determine the electronic structure of molecular systems. In this work, a sequential construction of effective Hamiltonians drives the definition of…

The measured $B_d \to \pi^0\pi^0$ branching fraction deviates significantly from conventional QCD predictions, a puzzle which has persisted for more than 10 years. This may be a hint of new physics beyond the Standard Model; however, as we…

Brillouin-Mandelstam scattering is one of the most accessible nonlinear optical phenomena and has been widely studied since its theoretical discovery one hundred years ago. The scattering mechanism is a three-wave-mixing process between two…

With a transcorrelated Hamiltonian, we perform a many body perturbation (MBPT) calculation on the uniform electron gas in the high density regime. By using a correlation factor optimised for a single determinant Jastrow ansatz, the second…

In a previous work it was shown that the inclusion of exact exchange is essential for a first principles description of both the electronic- and the vibrational properties of TiSe$_2$, M. Hellgren et al. [Phys. Rev. Lett. 119, 176401…

Mean field (MF) approximation offers a simple, fast way to infer direct interactions between elements in a network of correlated variables, a common, computationally challenging problem with practical applications in fields ranging from…

We present domain-based local pair natural orbital M{\o}ller--Plesset second order perturbation theory (DLPNO-MP2) with Born--von K{\'a}rm{\'a}n boundary (BvK) conditions. The approach is based on well-localised Wannier functions in a LCAO…