相关论文: A Simple 'Range Extender' for Basis Set Extrapolat…

Gell-Mann-Low functions can be calculated by means of perturbation theory and expressed as truncated series in powers of asymptotically small coupling parameters. However, it is necessary to know there behavior at finite values of the…

Quantum electrodynamic (QED) effects that shift the binding energies of hydrogenic energy levels have been expressed in terms of a semi-analytic expansion in powers of Zalpha and ln[(Zalpha)^{-2}], where Z is the nuclear charge number and…

The purpose of this note is to extend the extrapolation result by by Cruz-Uribe Martell and P\'erez as follows. Given a family $\mathcal{F}$ of pairs of functions suppose that for some $0<p<\infty$ and for every $w\in A_{\infty}$…

Let $\left(a_{n}\right)_{n}$ be a strictly increasing sequence of positive integers, denote by $A_{N}=\left\{ a_{n}:\,n\leq N\right\} $ its truncations, and let $\alpha\in\left[0,1\right]$. We prove that if the additive energy…

X-ray photoelectron spectroscopy (XPS) measures core-electron binding energies (CEBEs) to reveal element-specific insights into chemical environment and bonding. Accurate theoretical CEBE prediction aids XPS interpretation but requires…

We study weak-coupling perturbation expansions for the ground-state energy of the Hamiltonian with the generalized spiked harmonic oscillator potential V(x) = Bx^2 + A/x^2 + lambda/x^alpha, and also for the bottoms of the angular momentum…

We provide new methods to straightforwardly obtain compact and analytic expressions for epsilon-expansions of functions appearing in both field and string theory amplitudes. An algebraic method is presented to explicitly solve for…

Size extensivity, defined as the correct scaling of energy with system size, is a desirable property for any many-body method. Traditional CI methods are not size extensive hence the error increases as the system gets larger. Coupled…

Let $f$ be a newform of even weight $2\kappa$ for $D^\times$, where $D$ is a possibly split indefinite quaternion algebra over $\mathbb{Q}$. Let $K$ be a quadratic imaginary field splitting $D$ and $p$ an odd prime split in $K$. We extend…

Let $p_c(\mathbb{Q}_n)$ and $p_c(\mathbb{Z}^n)$ denote the critical values for nearest-neighbour bond percolation on the $n$-cube $\mathbb{Q}_n = \{0,1\}^n$ and on $\Z^n$, respectively. Let $\Omega = n$ for $\mathbb{G} = \mathbb{Q}_n$ and…

The finite-lattice method of series expansions has been combined with a new extrapolation procedure to extend the low-temperature series for the specific heat, spontaneous magnetisation and susceptibility of the spin-1 Ising model on the…

Percolation on a five-dimensional simple hypercubic (sc(5)) lattice with extended neighborhoods is investigated by means of extensive Monte Carlo simulations, using an effective single-cluster growth algorithm. The critical exponents,…

In this paper, an alternative method to range-separated linear-response time-dependent density-functional theory and perturbation theory is proposed to improve the estimation of the energies of a physical system from the energies of a…

We consider two distinct coupled cluster (CC) perturbation series that both expand the difference between the energies of the CCSD (CC with single and double excitations) and CCSDT (CC with single, double, and triple excitations) models in…

In the random-phase-approximation-amended (RPA-amended) Nilsson-Strutinskij method of calculating nuclear binding energies, the conventional shell correction terms derived from the independent-nucleon model and the Bardeen-Cooper-Schrieffer…

We present a simple linear model to estimate the basis set incompleteness errors (BSIE) of (vertex-corrected) $GW$ QP energies based on the kinetic energy of the corresponding orbital only. We parametrise the model for $G_0W_0$,…

The total atomization energy of a molecule is the thermochemical cognate of the heat of formation in the gas phase, its most fundamental thermochemical property. We decompose it into different components and provide a survey of them. It…

The series expansion formulae are established for the one- and two-center charge densities over complete orthonormal sets of exponential type orbitals introduced by the author. Three-center overlap integrals of appearing in these relations…

In a previous paper by one of us, a "compact version" of Rubio de Francia's weighted extrapolation theorem was proved, which allows one to extrapolate the compactness of an operator from just one space to the full range of weighted spaces,…

The modified Poisson-Boltzmann theory of the restricted primitive model double layer is revisited and recast in a fresh, slightly broader perspective. Derivation of relevant equations follow the techniques utilized in the earlier MPB4 and…