Search results for "polarizability"
showing 10 items of 240 documents
Perspective: Polarizable continuum models for quantum-mechanical descriptions
2016
Polarizable continuum solvation models are nowadays the most popular approach to describe solvent effects in the context of quantum mechanical calculations. Unexpectedly, despite their widespread use in all branches of quantum chemistry and beyond, important aspects of both their theoretical formulation and numerical implementation are still not completely understood. In particular, in this perspective we focus on the numerical issues of their implementation when applied to large systems and on the theoretical framework needed to treat time dependent problems and excited states or to deal with electronic correlation. Possible extensions beyond a purely electrostatic model and generalization…
Response functions for infinite fermion systems with velocity dependent interactions
1992
Response functions of infinite Fermi systems are studied in the framework of the self-consistent random phase approximation (RPA). Starting from an effective interaction with velocity and density dependence, or equivalently from a local energy density functional, algebraic expressions for the RPA response function are derived. Simple formulae for the energy-weighted and polarizability sum rules are obtained. The method is illustrated by applications to nuclear matter and liquid 3 He. In nuclear matter, it is shown that existing Skyrme interactions give spin-isospin response functions close to those calculated with finite range interactions. The different renormalization of longitudinal and …
Isotope shift, non-linearity of King plots and the search for new particles
2017
We derive a mean-field relativistic formula for the isotope shift of an electronic energy level for arbitrary angular momentum; we then use it to predict the spectra of superheavy metastable neutron-rich isotopes belonging to the hypothetical island of stability. Our results may be applied to the search for superheavy atoms in astrophysical spectra using the known values of the transition frequencies for the neutron deficient isotopes produced in the laboratory. An example of a relevant astrophysical system may be the spectra of the Przybylski's star where superheavy elements up to Z=99 have been possibly identified. In addition, it has been recently suggested to use the measurements of Kin…
Moments of nucleon structure functions at next-to-leading order in baryon chiral perturbation theory
2014
We obtain leading- and next-to-leading-order predictions of chiral perturbation theory for several prominent moments of nucleon structure functions. These parameter-free results turn out to be in overall agreement with the available empirical information on nearly all of the considered moments, in the region of low momentum transfer $({Q}^{2}l0.3\phantom{\rule{4pt}{0ex}}{\mathrm{GeV}}^{2})$. Especially surprising is the situation for the spin polarizability ${\ensuremath{\delta}}_{LT}$, which thus far was not reproducible in chiral perturbation theory for proton and neutron simultaneously. This problem, known as the ``${\ensuremath{\delta}}_{LT}$ puzzle,'' is not seen in the present calcula…
Development of the Dipole Moment and Polarizability Operators of Octahedral Molecules
1999
We present a development of the dipole moment and polarizability operators of octahedral molecules, using a tensorial formalism analogous to the one developed for tetrahedral molecules. These operators are involved in the calculation of the intensities of rovibrational transitions as well as in the calculation of the Stark effect. Expressions for the matrix elements are derived. Two simplified models for the study of the Stark effect in such molecules are also proposed and discussed. Copyright 1999 Academic Press.
A dispersion relation for the pion-mass dependence of hadron properties
2010
We present a dispersion relation in the pion-mass squared, which static quantities (nucleon mass, magnetic moment, etc.) obey under the assumption of analyticity in the entire complex $m_\pi^2$ plane modulo a cut at negative $m_\pi^2$ associated with pion production. The relation is verified here in a number of examples of nucleon and $\Delta$-isobar properties computed in chiral perturbation theory up to order $p^3$. We outline a method to obtain relations for other mass-dependencies, and illustrate it on a two-loop example.
Chiral perturbation theory of hyperfine splitting in muonic hydrogen
2016
We present the leading-order prediction of baryon chiral perturbation theory for the proton polarizability contribution to the 2S hyperfine splitting in muonic hydrogen, and compare with the results of dispersive calculations.
Spin-dependent sum rules connecting real and virtual Compton scattering verified
2017
We present a detailed derivation of the two sum rules relating the spin polarizabilities measured in real, virtual, and doubly-virtual Compton scattering. For example, the polarizability $\delta_{LT}$, accessed in inclusive electron scattering, is related to the spin polarizability $\gamma_{E1E1}$ and the slope of generalized polarizabilities $P^{(M1,M1)1}-P^{(L1,L1)1}$, measured in, respectively, the real and the virtual Compton scattering. We verify these sum rules in different variants of chiral perturbation theory, discuss their empirical verification for the proton, and prospect their use in studies of the nucleon spin structure.
Proton polarizabilities: status, relevance, prospects
2013
This is a brief review of the status of understanding the proton polarizabilities in chiral perturbation theory and of their relevance to the `proton charge radius puzzle'.
Spectroscopy of XY2Z2 (C2v) Molecules: A Tensorial Formalism Adapted to the O(3)⊃Td⊃C2v Chain. Application to the Ground State of SO2F2
2002
Abstract A tensorial formalism adapted to the case of quasi-spherical XY 2 Z 2 asymmetric tops such as SO 2 F 2 has been developed as an extension of the usual one for the tetrahedral molecules. We use the O (3)⊃ T d ⊃ C 2 v group chain. All the coupling coefficients and formulas for the computation of matrix elements are given for this chain. Such relations are then deduced in the C 2 v group itself. We also present a development of the Hamiltonian, dipole moment, and polarizability operators for the molecules under consideration using this formalism. These operators are involved in the calculation of the energies and intensities of rovibrational transitions and are essential for spectrum …