Search results for "Interaction"
showing 10 items of 5710 documents
Magnetism of metallacrown single-molecule magnets: From a simplest model to realistic systems
2018
Electronic and magnetic properties of molecular nanomagnets are determined by competing energy scales due to the crystal field splitting, the exchange interactions between transition metal atoms, and relativistic effects. We present a comprehensive theory embracing all these phenomena based on first-principles calculations. In order to achieve this goal, we start from the ${\mathrm{FeNi}}_{4}$ cluster as a paradigm. The system can be accurately described on the ab initio level yielding all expected electronic states in a range of multiplicities from 1 to 9, with a ferromagnetic ground state. By adding the spin-orbit coupling between them we obtain the zero-field splitting. This allows to in…
Multicomponent Density-Functional Theory
2006
The coupling between electronic and nuclear motion plays an essential role in a wide range of physical phenomena.
Spin lattice relaxation rates of tunnelling CD3 groups
1991
The spin lattice relaxation rates of deuterated methyl groups are calculated for threefold and sixfold potentials. It is shown that it should be possible to determine the symmetry of the potential hindering the methyl groups from deuteron spin lattice relaxation experiments. The temperature dependence of the spin lattice relaxation rates is discussed using a simple model. The similarities and the differences between proton NMR and deuteron NMR are pointed out. The main difference is thatEa↔Eb transitions are forbidden by spin selection rules in case of CH3, but not for CD3. Therefore, and due to the fact that the quadrupolar interaction is a single particle interaction, deuteron NMR allows …
Interaction of two-level systems in amorphous materials with arbitrary phonon fields
2006
To describe the interaction of the two level systems (TLSs) of an amorphous solid with arbitrary strain fields, we introduce a generalization of the standard interaction Hamiltonian. In this new model, the interaction strength depends on the orientation of the TLS with respect to the strain field through a $6\times 6$ symmetric tensor of deformation potential parameters, $[R]$. Taking into account the isotropy of the amorphous solid, we deduce that $[R]$ has only two independent parameters. We show how these two parameters can be calculated from experimental data and we prove that for any amorphous bulk material the average coupling of TLSs with longitudinal phonons is always stronger than …
Multipolar expansion of the electrostatic interaction between charged colloids at interfaces
2007
The general form of the electrostatic potential around an arbitrarily charged colloid at an interface between a dielectric and a screening phase (such as air and water, respectively) is analyzed in terms of a multipole expansion. The leading term is isotropic in the interfacial plane and varies with $d^{-3}$ where $d$ is the in--plane distance from the colloid. The electrostatic interaction potential between two arbitrarily charged colloids is likewise isotropic and $\propto d^{-3}$, corresponding to the dipole--dipole interaction first found for point charges at water interfaces. Anisotropic interaction terms arise only for higher powers $d^{-n}$ with $n \ge 4$.
Size-consistent self-consistent configuration interaction from a complete active space : Excited states
1998
The self-consistent size consistent on a complete active space singly and doubly configuration interaction (SC)2CAS-SDCI method is applied to excited states. The (SC)2 correction is performed on a closed shell state, and the excited states are obtained by diagonalization of the dressed matrix. A theoretical justification of the transferability of the improvement concerning the dressing state to all roots of the matrix is presented. The method is tested by three tests on the spectrum of small molecules. sanchezm@uv.es ; nebot@uv.es
Gravitational Wave Echo of Relaxion Trapping
2021
To solve the hierarchy problem, the relaxion must remain trapped in the correct minimum, even if the electroweak symmetry is restored after reheating. In this scenario, the relaxion starts rolling again until the backreaction potential, with its set of local minima, reappears. Depending on the time of barrier reappearance, Hubble friction alone may be insufficient to retrap the relaxion in a large portion of the parameter space. Thus, an additional source of friction is required, which might be provided by coupling to a dark photon.The dark photon experiences a tachyonic instability as the relaxion rolls, which slows down the relaxion by backreacting to its motion, and efficiently creates a…
Insights into the orbital invariance problem in state-specific multireference coupled cluster theory.
2010
In this communication we report the results of our studies on the orbital invariance properties of the state-specific multireference coupled cluster approach suggested by Mukherjee and co-workers (Mk-MRCC). In particular, we have gathered numerical evidence to show that even when the linear excitation manifold is modified in order to span the same space for each reference, the resulting method is not orbital invariant. In order to test this conjecture we have proposed a new truncation scheme (Mk-MRCCSDtq) which, in addition to full single and double excitations, contains partial triple and quadruple excitations. For a reference space generated by all possible combinations of two electrons i…
Electron paramagnetic resonance study of theCe3+pair centers inYAlO3:Ce scintillator crystals
2015
Single crystals of $\mathrm{YAl}{\mathrm{O}}_{3}$ doped with Ce have been studied by electron paramagnetic resonance (EPR) at the 9.4 and 34 GHz microwave bands. Besides the single-ion $\mathrm{C}{\mathrm{e}}^{3+}$ spectrum, measurements have revealed many satellite lines which belong to the $\mathrm{C}{\mathrm{e}}^{3+}\text{\ensuremath{-}}\mathrm{C}{\mathrm{e}}^{3+}$ pair centers. Their spectra have been fitted by a general effective spin Hamiltonian describing two interacting particles with the spin $S=1/2$. Corresponding $g$ factors and spin-spin coupling constants have been determined. The spin-spin coupling constants are in the range from 0.1 up to $0.65\phantom{\rule{0.16em}{0ex}}\mat…
Search for supersymmetry with jets, missing transverse momentum and at least one hadronically decaying τ lepton in proton–proton collisions at s=7 Te…
2012
A search for production of supersymmetric particles in final states containing jets, missing transverse momentum, and at least one hadronically decaying tau lepton is presented. The data were recor ...