Search results for "Tensor"
showing 10 items of 550 documents
An EPR investigation of the phase transitions and cooperative ordering phenomena of pentaamminecopper(II) polyhedra in Cu(NH3)5X2 [X=BF4, CIO4; Br]
1996
The results of powder and single-crystal EPR studies on Cu(NH3)5X2 compounds [X=BF4, CIO4; Br] give evidence that phase transitions from a cubic α-phase (g i ≃2.12) with an anti-K2PtCl6 type structure to low-temperature β-phases with reduced symmetry occur, which are induced by ordering processes of the vacancies □ of elongated [Cu(NH3)5□]2+ pseudo-octahedra. The type of order is crucially controlled, by the nature of the anion. In the case of the BF 4 − and ClO 4 − salts the large anions are structure-determining leading to a slightly disturbed antiferrodistortive order of the elongated CuIIN5 square pyramids atT c≃155 K and <130 K, respectively. The resulting pseudo-tetragonal β-structure…
Communication: The pole structure of the dynamical polarizability tensor in equation-of-motion coupled-cluster theory.
2018
In this letter, we investigate the pole structure of dynamical polarizabilities computed within the equation-of-motion coupled-cluster (EOM-CC) theory. We show, both theoretically and numerically, that approximate EOM-CC schemes such as, for example, the EOM-CC singles and doubles model exhibit an incorrect pole structure in which the poles that reflect the excitations from the target state (i.e., the EOM-CC state) are supplemented by artificial poles due to excitations from the CC reference state. These artificial poles can be avoided by skipping the amplitude response and reverting to a sum-over-states formulation. While numerical results are generally in favor of such a solution, its maj…
Benchmark coupled-cluster g-tensor calculations with full inclusion of the two-particle spin-orbit contributions.
2017
We present a parallel implementation to compute electron spin resonance g-tensors at the coupled-cluster singles and doubles (CCSD) level which employs the ACES III domain-specific software tools for scalable parallel programming, i.e., the super instruction architecture language and processor (SIAL and SIP), respectively. A unique feature of the present implementation is the exact (not approximated) inclusion of the five one- and two-particle contributions to the g-tensor [i.e., the mass correction, one- and two-particle paramagnetic spin-orbit, and one- and two-particle diamagnetic spin-orbit terms]. Like in a previous implementation with effective one-electron operators [J. Gauss et al.,…
Big bounce and future time singularity resolution in Bianchi i cosmologies: The projective invariant Nieh-Yan case
2021
We extend the notion of the Nieh-Yan invariant to generic metric-affine geometries, where both torsion and nonmetricity are taken into account. Notably, we show that the properties of projective invariance and topologicity can be independently accommodated by a suitable choice of the parameters featuring this new Nieh-Yan term. We then consider a special class of modified theories of gravity able to promote the Immirzi parameter to a dynamical scalar field coupled to the Nieh-Yan form, and we discuss in more detail the dynamics of the effective scalar tensor theory stemming from such a revised theoretical framework. We focus, in particular, on cosmological Bianchi I models and we derive cla…
Symmetry adaptation of spherical tensor quantities in cubic point groups: comments on a paper by M. Rey et al.
2004
We underline some inconsistencies in the work [J. Mol. Spectrosc. 219 (2003) 313] concerning symmetry adaptation in cubic groups. Also we show that some rather complicated methods presented can be easily avoided.
Occupation Number Representation
2007
The first two chapters of this book presented angular momentum algebra as the basic tool of nuclear theory. That includes angular momentum coupling coefficients, spherical tensor operators and reduced matrix elements. In the preceding chapter we introduced the mean-field concept, along with associated many-nucleon wave functions, Slater determinants, describing configurations of non-interacting particles in mean-field single-particle orbitals.
Inhomogeneous space-times admitting isotropic radiation: Vorticity-free case
1992
The energy-momentum tensor of space-times admitting a vorticity-free and a shear-free timelike congruence is obtained. This result is used to write Einstein equations in a convenient way in order to get inhomogeneous space-times admitting an isotropic distribution of photons satisfying the Liouville equation. Two special cases with anisotropic pressures in the energy flow direction are considered.
Analyzing dynamical gluon mass generation
2007
We study the necessary conditions for obtaining infrared finite solutions from the Schwinger-Dyson equation governing the dynamics of the gluon propagator. The equation in question is set up in the Feynman gauge of the background field method, thus capturing a number of desirable features. Most notably, and in contradistinction to the standard formulation, the gluon self-energy is transverse order-by-order in the dressed loop expansion, and separately for gluonic and ghost contributions. Various subtle field-theoretic issues, such as renormalization group invariance and regularization of quadratic divergences, are briefly addressed. The infrared and ultraviolet properties of the obtained so…
Existence of global weak solutions to the kinetic Peterlin model
2018
Abstract We consider a class of kinetic models for polymeric fluids motivated by the Peterlin dumbbell theories for dilute polymer solutions with a nonlinear spring law for an infinitely extensible spring. The polymer molecules are suspended in an incompressible viscous Newtonian fluid confined to a bounded domain in two or three space dimensions. The unsteady motion of the solvent is described by the incompressible Navier–Stokes equations with the elastic extra stress tensor appearing as a forcing term in the momentum equation. The elastic stress tensor is defined by Kramer’s expression through the probability density function that satisfies the corresponding Fokker–Planck equation. In thi…
Low compressibility accretion disc formation in close binaries: the role of physical viscosity
2006
Aims. Physical viscosity naturally hampers gas dynamics (rarefaction or compression). Such a role should support accretion disc development inside the primary gravitation potential well in a close binary system, even for low compressibility modelling. Therefore, from the astrophysical point of view, highly viscous accretion discs could exist even in the low compressibility regime showing strong thermal differences to high compressibility ones Methods. We performed simulations of stationary Smooth Particle Hydrodynamics (SPH) low compressibility accretion disc models for the same close binary system. Artificial viscosity operates in all models. The absence of physical viscosity and a superso…