相关论文: Complete basis set extrapolation of electronic cor…

We apply the iterative Expectation-Maximization algorithm (EM) to estimate the power spectrum of the CMB from multifrequency microwave maps. In addition, we are also able to provide a reconstruction of the CMB map. By assuming that the…

To obtain the Dirichlet series for complex powers of the Riemann zeta function, we define and study the basic properties of a sequence of polynomials that, used as coefficients of the respective terms of the Dirichlet series of the Riemann…

Let $\lambda$ be a positive number, and let $(x_j:j\in\mathbb Z)\subset\mathbb R$ be a fixed Riesz-basis sequence, namely, $(x_j)$ is strictly increasing, and the set of functions $\{\mathbb R\ni t\mapsto e^{ix_jt}:j\in\mathbb Z\}$ is a…

We study the entire function zeta(n,s) which is the sum of l to the power -s, where l runs over the positive eigenvalues of the Laplacian of the circular graph C(n) with n vertices. We prove that the roots of zeta(n,s) converge for n to…

A systematic derivation provides extended series of correlation inequalities in quantum systems. Each order in truncated Taylor expansion of the spectral representation for the Duhamel correlation function gives its lower and upper bounds.…

In this article, we develop a formula for an inverse Riemann zeta function such that for $w=\zeta(s)$ we have $s=\zeta^{-1}(w)$ for real and complex domains $s$ and $w$. The presented work is based on extending the analytical recurrence…

We intimate deeper connections between the Riemann zeta and gamma functions than often reported and further derive a new formula for expressing the value of $\zeta(2n+1)$ in terms of zeta at other fractional points. This paper also…

Using the left merge and communication merge from ACP, we present an equational base (i.e., a ground-complete and $\omega$-complete set of valid equations) for the fragment of CCS without recursion, restriction and relabelling. Our…

We present a new derivation of the spectral gap of the totally asymmetric exclusion process on a half-filled ring of size L by using the Bethe Ansatz. We show that, in the large L limit, the Bethe equations reduce to a simple transcendental…

This paper considers application of the SALSA algorithm as a method of forecasting and applies it to simulated electrical signal, temperature recording from the Australian Bureau of Meteorology and stock prices from the Australian stock…

We propose a streamlined combination scheme of the transcorrelation (TC) and coupled cluster (CC) theory, which not only increases the convergence rate with respect to the basis set, but also extends the applicability of the lowest order CC…

The Bethe-Salpeter equation (BSE) formalism is steadily asserting itself as a new efficient and accurate tool in the ensemble of computational methods available to chemists in order to predict optical excitations in molecular systems. In…

We study the electron-energy loss spectra of strongly correlated electronic systems doped away from half-filling using dynamical mean-field theory ($d=\infty$). The formalism can be used to study the loss spectra in the optical (${\bf…

For many physical quantities, theory supplies weak- and strong-coupling expansions of the types $\sum a_n \alpha ^n$ and $ \alpha ^p\sum b_n (\alpha^{-2/q) ^n$, respectively. Either or both of these may have a zero radius of convergence. We…

We describe an all-electron $G_0W_0$ implementation for periodic systems with $k$-point sampling implemented in a crystalline Gaussian basis. Our full-frequency $G_0W_0$ method relies on efficient Gaussian density fitting integrals and…

An ab initio approach formulated under an entropy-inspired repartitioning of the electronic Hamiltonian is presented. This ansatz produces orbital eigenvalues each shifted by entropic contributions expressed as subsets of scaled pair…

This paper presents an approach for obtaining accurate interaction energies at the DFT level for systems where dispersion interactions are important. This approach combines Becke and Johnson's [J. Chem. Phys. 127, 154108 (2007)] method for…

Optimal power management of battery energy storage systems (BESS) is crucial for their safe and efficient operation. Numerical optimization techniques are frequently utilized to solve the optimal power management problems. However, these…

We investigate the numerical accuracy of the extended Koopmans's theorem (EKT) in reproducing the full configuration interaction (FCI) and complete active-space configuration interaction (CAS-CI) ionization energies (IEs) of atomic and…

The main task of an energy calibration is to find a relation between pulse-height values and the corresponding energies. Doing this for each pulse-height channel individually requires an elaborated input spectrum with an excellent counting…