نتایج جستجو برای: moller plesset

تعداد نتایج: 1319  

Journal: :Journal of High Energy Physics 2022

A bstract Two-loop electroweak corrections to polarized Møller scattering are studied in two different schemes at low energies. We find the finite Q 2 be well under control. The hadronic and perturbative QCD γZ two-point function incorporated through weak mixing angle energies, which introduce an error of 0 . 08 × 10 − 3 charge electron $$ {Q}_W^e <mml:math xmlns:mml="http://www.w3.org/1998/Mat...

2006
Alejandro Cabo Francisco Claro Eduardo Menéndez-Proupin Norge Cruz-Hernández Javier Fernández-Sanz

Alejandro Cabo, Francisco Claro, Eduardo Menéndez-Proupin,* Norge Cruz-Hernández, and Javier Fernández-Sanz Grupo de Física Teórica, Instituto de Cibernética, Matematica y Física, Calle E, No. 309, Vedado, La Habana, Cuba Facultad de Física, Pontificia Universidad Católica de Chile, Vicuña Mackenna 4860 Santiago, Chile Departamento de Física, Facultad de Ciencias, Universidad de Chile, Las Palm...

Journal: :The Journal of chemical physics 2014
Takashi Tsuchimochi Troy Van Voorhis

We present a novel method that appropriately handles both dynamical and static electron correlations in a balanced manner, using a perturbation theory on a spin-extended Hartree-Fock (EHF) wave function reference. While EHF is a suitable candidate for degenerate systems where static correlation is ubiquitous, it is known that most of dynamical correlation is neglected in EHF. In this work, we d...

2008
Herbert H. H. Homeier

Some methods for the convergence acceleration of the Møller-Plesset perturbation series for the correlation energy are discussed. The order-by-order summation is less effective than the Feenberg series. The latter is obtained by renormalizing the unperturbed Hamilton operator by a constant factor that is optimized for the third order energy. In the fifth order case, the Feenberg series can be i...

Journal: :The Journal of chemical physics 2009
Alexandre Tkatchenko Robert A DiStasio Martin Head-Gordon Matthias Scheffler

We show that the often unsatisfactory performance of Møller-Plesset second-order perturbation theory (MP2) for the dispersion interaction between closed-shell molecules can be rectified by adding a correction Delta C(n)/R(n), to its long-range behavior. The dispersion-corrected MP2 (MP2 + Delta vdW) results are in excellent agreement with the quantum chemistry "gold standard" [coupled cluster t...

1999
Todd J. Martinez Emily A. Carter

We present a formulation and implementation of MBller-Plesset perturbation theory in a pseudospectral framework. At the second-order level, the pseudospectral formulation is a formally a factor of N/n faster than conventional approaches, while the third order is formally faster by a factor of n, where Nis the number of atomic orbitals and n is the number of occupied orbitals. The accuracy of th...

2003
A. Ferroglia G. Ossola A. Sirlin

The electroweak form factorˆκ(q 2) and the running of sin 2 ˆ θ W Gauge independent form factors ρ (e; e) andˆκ (e; e) (q 2) for Møller scattering at s ≪ m 2 W are derived. It is pointed out thatˆκ (e; e) is very different from its counterparts in other processes. The relation between the effective parameterˆκ (e; e) (q 2 , µ) sin 2 ˆ θ W (µ) and sin 2 θ lept ef f is derived in a scale-independ...

2007
KENSHI ISHIGURO Kenshi Ishiguro

A p–compact group (see Dwyer–Wilkerson [8]) is a loop space X such that X is Fp –finite and that its classifying space BX is Fp –complete (see Andersen–Grodal– Møller–Viruel [2] and Dwyer–Wilkerson [11]). We recall that the p–completion of a compact Lie group G is a p–compact group if π0(G) is a p–group. Next, if C(ρ) denotes the centralizer of a group homomorphism ρ from a p–toral group to a c...

Journal: :Journal of chemical theory and computation 2006
Anatoliy Volkov Harry F King Philip Coppens

As electrostatic forces play a prominent role in the process of folding and binding of biological macromolecules, an examination of the method dependence of the electrostatic interaction energy is of great importance. An extensive analysis of the basis set and method dependence of electrostatic interaction energies (Ees) in molecular systems using six test dimers of α-glycine is presented. A nu...

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