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The Atom-Calibrated Basis-set Extrapolation (ACBE) method is introduced as a robust approach for extrapolating MP2 correlation energies from small basis sets. Unlike conventional extrapolation techniques, ACBE incorporates system- and…

Chemical Physics · Physics 2025-04-07 E. Fabiano , F. Della Sala

We have developed and benchmarked a new extended basis set for explicitly correlated calculations, namely cc-pV5Z-F12. It is offered in two variants, cc-pV5Z-F12 and cc- pV5Z-F12(rev2), the latter of which has additional basis functions on…

Chemical Physics · Physics 2015-07-16 Kirk A. Peterson , Manoj Kumar Kesharwani , Jan M. L. Martin

In this communication we present a method of complete basis set (CBS) extrapolation of correlation energies obtained with a systematic sequence of one-electron basis sets. Instead of fitting the finite-basis results with a certain…

Chemical Physics · Physics 2019-12-30 Michał Lesiuk , Bogumił Jeziorski

A method is described for the extrapolation of perturbative expansions in powers of asymptotically small coupling parameters or other variables onto the region of finite variables and even to the variables tending to infinity. The method…

High Energy Physics - Phenomenology · Physics 2024-06-18 V. I. Yukalov , E. P. Yukalova

A possible solution for the problem of memory-size and computer-time, is the extrapolation of basis-set$^1$. This extrapolation has two exponents $\alpha$ and $\beta$, corresponding to the HF (reference energy) and the energy of…

Chemical Physics · Physics 2015-08-03 Suresh Chandra , Mohit K. Sharma

After recalling the precise existence conditions of the zeta function of a pseudodifferential operator, and the concept of reflection formula, an exponentially convergent expression for the analytic continuation of a multidimensional…

High Energy Physics - Theory · Physics 2009-10-30 E. Elizalde

In this paper we consider the variational setting for SPDE on a Gelfand triple $(V, H, V^*)$. Under the standard conditions on a linear coercive pair $(A,B)$, and a symmetry condition on $A$ we manage to extrapolate the classical…

Probability · Mathematics 2025-07-04 Sebastian Bechtel , Mark Veraar

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…

Quantum Physics · Physics 2009-10-28 H. Kleinert

We investigate a pattern in the $\alpha'$ expansion of tree-level open superstring amplitudes which correlates the appearance of higher depth multiple zeta values with that of simple zeta values in a particular way. We rephrase this…

High Energy Physics - Theory · Physics 2015-06-12 J. M. Drummond , E. Ragoucy

We present a method to extrapolate nuclear binding energies from known values for neighbouring nuclei. We select four specific mass relations constructed to eliminate smooth variation of the binding energy as function nucleon numbers. The…

Nuclear Theory · Physics 2014-08-27 D. Hove , A. S. Jensen , K. Riisager

For supersymmetric extensions of the Standard Model we construct some expressions that include Yukawa couplings for the third and second generations and receive relatively small quantum corrections. This implies that they slightly depend on…

High Energy Physics - Phenomenology · Physics 2026-04-28 Kirill Krylov , Daniil Rystsov , Konstantin Stepanyantz

We study the pole properties of $\Lambda(1405)$ in a model-independent manner by applying the Uniformized Mittag-Leffler expansion proposed in our previous paper. The resonant energy, width and residues are determined by expanding the…

High Energy Physics - Phenomenology · Physics 2021-04-07 Wren Yamada , Osamu Morimatsu

Electronic correlation energies from the random-phase approximation converge slowly with respect to the plane wave basis set size. We study the conditions, under which a short-range local density functional can be used to account for the…

Materials Science · Physics 2023-07-18 Stefan Riemelmoser , Merzuk Kaltak , Georg Kresse

Atomic cluster expansion (ACE) methods provide a systematic way to describe particle local environments of arbitrary body order. For practical applications it is often required that the basis of cluster functions be symmetrized with respect…

Materials Science · Physics 2024-02-27 James M. Goff , Charles Sievers , Mitchell A. Wood , Aidan P. Thompson

We present a novel extrapolation scheme for high order series expansions. The idea is to express the series, obtained in orders of an external variable, in terms of an internal parameter of the system. Here we apply this method to the…

Strongly Correlated Electrons · Physics 2007-05-23 K. P. Schmidt , C. Knetter , G. S. Uhrig

The problem is addressed of defining the values of functions, whose variables tend to infinity, from the knowledge of these functions at asymptotically small variables close to zero. For this purpose, the extrapolation by means of different…

Statistical Mechanics · Physics 2010-10-05 S. Gluzman , V. I. Yukalov

We introduce a new type of cluster expansion which generalizes a previous formula of Brydges and Kennedy. The method is especially suited for performing a phase-space multiscale expansion in a just renormalizable theory, and allows the…

High Energy Physics - Theory · Physics 2009-07-09 A. Abdesselam , V. Rivasseau

We present a fourfold series expansion representing the Askey-Wilson polynomials. To obtain the result, a sequential use is made of several summation and transformation formulas for the basic hypergeometric series, including the Verma's…

Combinatorics · Mathematics 2014-06-09 A. Hoshino , M. Noumi , J. Shiraishi

The effects of ground-state correlations on the dipole and quadrupole excitations are studied for $^{40}$Ca and $^{48}$Ca using the extended random phase approximation (ERPA) derived from the time-dependent density-matrix theory. Large…

Nuclear Theory · Physics 2017-12-07 Mitsuru Tohyama

A systematic analysis of giant quadrupole resonances is performed for several nuclei, from $^{30}$Si to $^{208}$Pb, within the subtracted second random--phase--approximation (SSRPA) model in the framework of the energy--density--functional…

Nuclear Theory · Physics 2018-10-17 Olivier Vasseur , Danilo Gambacurta , Marcella Grasso
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