Search results for "STATES"
showing 10 items of 1532 documents
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
Single-step arbitrary control of mechanical quantum states in ultrastrong optomechanics
2015
We describe how ultrastrong interactions in optomechanical systems can be used to force the system ground state to evolve into an arbitrary quantum state of mechanical motion in a completely controlled and deterministic manner. If the target quantum state is a superposition of $N$ Fock states, it can be obtained by applying in single-step $N$ classical optical signals of different frequencies for a common time interval. This protocol can be applied to various strongly interacting quantum systems as trapped ions beyond the Lamb-Dicke regime and cavity QED into the ultrastrong coupling regime.
Insights on the coupling between vibronically active molecular vibrations and lattice phonons in molecular nanomagnets
2021
Spin-lattice relaxation is a key open problem to understand the spin dynamics of single-molecule magnets and molecular spin qubits. While modelling the coupling between spin states and local vibrations allows to determine the more relevant molecular vibrations for spin relaxation, this is not sufficient to explain how energy is dissipated towards the thermal bath. Herein, we employ a simple and efficient model to examine the coupling of local vibrational modes with long-wavelength longitudinal and transverse phonons in the clock-like spin qubit [Ho(W$_5$O$_{18}$)$_2$]$^{9-}$. We find that in crystals of this polyoxometalate the vibrational mode previously found to be vibronically active at …
Innentitelbild: Bidirectional Chemo‐Switching of Spin State in a Microporous Framework (Angew. Chem. 26/2009)
2009
Das chemische Schalten des Magnetismus in zwei Richtungen wurde in einem mikroporosen Koordinationspolymer mit Spin-Crossover-Einheiten beobachtet. M. Ohba, J. A. Real, S. Kitagawa und Mitarbeiter stellten in ihrer Zuschrift auf S. 4861 ff. magnetische Messungen vor, die belegen, dass die meisten Gastmolekule einen Ubergang des Netzwerks vom diamagnetischen Low-Spin- (rot) in den paramagnetischen High-Spin-Zustand (gelb) bewirken. Allein CS2 stabilisiert den Low-Spin-Zustand. Die induzierten Spinzustande werden auch nach Freisetzung der Gastspezies beibehalten.
Postpulse molecular alignment measured by a weak field polarization technique
2003
We report a direct nonintrusive observation of alignment and planar delocalization of ${\mathrm{C}\mathrm{O}}_{2}$ after an intense linearly polarized femtosecond laser pulse excitation. The effects are measured by a polarization technique involving a perturbative probe that itself does not induce appreciable alignment. We show that this technique allows one to measure a signal proportional to $⟨{cos}^{2}\ensuremath{\theta}⟩\ensuremath{-}1/3$, with $\ensuremath{\theta}$ the angle between the molecular axis and the laser polarization. Simulations that support this analysis allow one to characterize the experimentally observed alignment and planar delocalization quantitatively.
Competing Decay Modes of a High-spin Isomer in the Proton-unbound Nucleus $^{158}$Ta
2015
An isomeric state at high spin and excitation energy was recently observed in the proton-unbound nucleus 158Ta. This state was observed to decay by both α and γ decay modes. The large spin change r ...
The algebra eigenstates method for some systems with spin-like interactions
2006
International audience; An extension of the algebra eigenstates formalism is proposed to solve the eigenvalue equation for a class of problems involving "spin interactions". The method is detailed for the harmonic oscillator, su(2) and su(1, 1) algebras. Special emphasis is given to the resolution of problems in vibronic spectroscopy involving doubly degenerate electronic states.
Localization vs. Delocalization in Molecules and Clusters: Electronic and Vibronic Interactions in Mixed Valence Systems
1996
The interplay between electron delocalization and magnetic interactions play a key role in areas as diverse as solid state chemistry (bulk magnetic materials, superconductors,...) [1] and biology (iron-sulfur proteins, manganese-oxo clusters ...) [2]. In molecular inorganic chemistry these two electronic processes have been traditionally studied independently. Thus, the electron dynamics has been extensively investigated in mixedvalence dimers [3] as exemplified by the Creutz-Taube complex [(NH3)5RuII(pyrazine)RuIII(NH3)5]. In this kind of molecular complexes one extra electron is delocalized over two diamagnetic metal sites. Therefore, they constitute model systems for the study of the ele…
Dynamical mean-field theory calculation with the dynamical density-matrix renormalization group
2006
Abstract We study the Hubbard model at half band-filling on a Bethe lattice with infinite coordination number at zero temperature. We use the dynamical mean-field theory (DMFT) mapping to a single-impurity Anderson model with a bath whose properties have to be determined self-consistently. For a controlled and systematic implementation of the self-consistency scheme we use the fixed-energy approach to the DMFT. Using the dynamical density–matrix renormalization group method (DDMRG) we calculate the density of states (DOS) with a resolution ranging from 3% of the bare bandwidth W = 4 t at high energies to 0.01% for the quasi-particle peak. The DDMRG resolution and accuracy for the DOS is sup…
Characterization of Hong-Ou-Mandel bunched states by quantum homodyne tomography
2014
We experimentally demonstrate quantum homodyne tomography of Hong-Ou-Mandel bunched states, which are created by dynamically adjusting emission timings of two heralded single photons using coupled cavities.