Search results for "Coupled"
showing 10 items of 742 documents
On the convergence of perturbative coupled cluster triples expansions:Error cancellations in the CCSD(T) model and the importance of amplitude relaxa…
2015
Recently, we proposed a novel Lagrangian-based perturbation series-the CCSD(T-n) series-which systematically corrects the coupled cluster singles and doubles (CCSD) energy in orders of the Møller-Plesset fluctuation potential for effects due to triple excitations. In the present study, we report numerical results for the CCSD(T-n) series up through fourth order which show the predicted convergence trend throughout the series towards the energy of its target, the coupled cluster singles, doubles, and triples (CCSDT) model. Since effects due to the relaxation of the CCSD singles and doubles amplitudes enter the CCSD(T-n) series at fourth order (the CCSD(T-4) model), we are able to separate th…
Self‐consistent intermediate Hamiltonians : A coupled cluster type formulation of the singles and doubles configuration interaction matrix dressing
1995
This paper presents a new self‐consistent dressing of a singles and doubles configuration interaction matrix which insures size‐consistency, separability into closed‐shell subsystems if localized molecular orbitals (MOs) are used, and which includes all fourth order corrections. This method yields, among several schemes, a reformulation of the coupled cluster method, including fully the cluster operators of single and double excitations, and partially those of the triples (Bartlett’s algorithm named CCSDT‐1a). Further improvement can be easily included by adding exclusion principle violating corrections. Since it leads to a matrix diagonalization, the method behaves correctly in case of nea…
Baryogenesis from a right-handed neutrino condensate
2010
We show that the baryon asymmetry of the Universe can be generated by a strongly coupled right handed neutrino condensate which also drives inflation. The resulting model has only a small number of parameters, which completely determine not only the baryon asymmetry of the Universe and the mass of the right handed neutrino but also the inflationary phase. This feature allows us to make predictions that will be tested by current and planned experiments. As compared to the usual approach our dynamical framework is both economical and predictive.
Design of a double-gap Hughes-type coupled-cavity for a Ka-band Extended Interaction Klystron
2020
In this paper, the design of a Ka-band Extended-Interaction Klystron (EIK) working at 2$\pi$ mode. The interaction structure is a three-gap Hughes-type coupled-cavity. Based on the results obtained with the 3D model developed by using CST, “cold electrical parameters” have been calculated, necessary to measure the interaction with the electron beam. The structure stability and the synchronization with the electron beam are analyzed The large-signal analysis is performed by 1D software AJDISK. Under the beam voltage and current of 19.55 kV and 0.95 A, respectively, an RF output power value of 3.86 kW and a bandwidth gain value of 37. 06 dB have been obtained
Translationally invariant coupled cluster method in coordinate space for nuclei
2002
We study a formulation of the translationally invariant coupled cluster method in coordinate space for finite nuclei. The new formulation remedies convergence problems that plagued previous calculations in configuration space. The method is applied to light nuclei using semi-realistic central interactions.
The CC3 model : An iterative coupled cluster approach including connected triples
1997
An alternative derivation of many-body perturbation theory (MBPT) has been given, where a coupled cluster parametrization is used for the wave function and the method of undetermined Lagrange multipliers is applied to set up a variational coupled cluster energy expression. In this variational formulation, the nth-order amplitudes determine the energy to order 2n+1 and the nth-order multipliers determine the energy to order 2n+2. We have developed an iterative approximate coupled cluster singles, doubles, and triples model CC3, where the triples amplitudes are correct through second order and the singles amplitudes are treated without approximations due to the unique role of singles as appro…
Communication: Spin densities within a unitary group based spin-adapted open-shell coupled-cluster theory: Analytic evaluation of isotropic hyperfine…
2015
We report analytical calculations of isotropic hyperfine-coupling constants in radicals using a spin-adapted open-shell coupled-cluster theory, namely, the unitary group based combinatoric open-shell coupled-cluster (COSCC) approach within the singles and doubles approximation. A scheme for the evaluation of the one-particle spin-density matrix required in these calculations is outlined within the spin-free formulation of the COSCC approach. In this scheme, the one-particle spin-density matrix for an open-shell state with spin S and MS = + S is expressed in terms of the one- and two-particle spin-free (charge) density matrices obtained from the Lagrangian formulation that is used for calcul…
The translationally-invariant coupled cluster method in coordinate space
2000
We study a formulation of the translationally-invariant coupled cluster method in coordinate space. Previous calculations in configuration space showed poor convergence, a problem that the new formulation is expected to remedy. This question is investigated for a system of bosons interacting through the Wigner part of the Afnan-Tang S3 interaction, where previous results exist.
Numerical Analysis of a Transposed Multiwired Armature in Electromagnetic Rail Launchers
2020
Solid armatures in electromagnetic rail launchers have to undergo severe electromagnetic, mechanical, and thermal stresses. These stresses are unevenly distributed in the armature mainly due to the velocity skin effect. Contrasting this effect reduces the peak to average ratio of the stresses and allows better performance of the device. In this article, the behavior of a transposed multiconductor solid armature is numerically investigated by the research code electric network for electromagnetics (EN4EM) developed at the Department of Energy, System, Territory and Construction Engineering (DESTEC), University of Pisa, Pisa, Italy. The code is based on an integral formulation that reduces th…
Translationally-Invariant Coupled-Cluster Method for Finite Systems
1997
The translational invariant formulation of the coupled-cluster method is presented here at the complete SUB(2) level for a system of nucleons treated as bosons. The correlation amplitudes are solution of a non-linear coupled system of equations. These equations have been solved for light and medium systems, considering the central but still semi-realistic nucleon-nucleon S3 interaction.