Search results for "Citation"
showing 10 items of 1710 documents
The effect of triple excitations in coupled cluster calculations of frequency-dependent polarizabilities
1998
Abstract Frequency-dependent polarizabilities have been implemented within the CC3 model. Comparison with full configuration interaction results shows that the triple excitation effects included in CC3 lead to a significantly improved treatment for the dispersion of the polarizability of CH+. For the refractivity and polarizability anisotropy of N2, better agreement with experiment is found for the CC3 results than for those obtained with the coupled cluster singles and doubles model.
Linear-response theory for Mukherjee's multireference coupled-cluster method: Excitation energies
2012
The recently presented linear-response function for Mukherjee's multireference coupled-cluster method (Mk-MRCC) [T.-C. Jagau and J. Gauss, J. Chem. Phys. 137, 044115 (2012)] is employed to determine vertical excitation energies within the singles and doubles approximation (Mk-MRCCSD-LR) for ozone as well as for o-benzyne, m-benzyne, and p-benzyne, which display increasing multireference character in their ground states. In order to assess the impact of a multireference ground-state wavefunction on excitation energies, we compare all our results to those obtained at the single-reference coupled-cluster level of theory within the singles and doubles as well as within the singles, doubles, and…
Electronic Excitation Energy Transfer in Multichromophoric Assemblies: A Single Molecule Insight
2009
In recent years, single molecule spectroscopy has provided novel insights into the fundamentals of electronic excitation energy transfer in molecular aggregates. In order of increasing structural complexity, we have studied simple molecular dimers and multichromophoric dendrimers. It will be shown that the combination of frequency-selective single molecule spectroscopy and confocal fluorescence microscopy at 1.4 K is a unique tool to study energy transfer processes in these systems. In particular, from the line widths of single molecule excitation spectra, rate constants of energy transfer can be deduced directly. A detailed analysis shows that, for several cases, the mechanism of energy tr…
Tracking the time-evolution of the electron distribution function in Copper by femtosecond broadband optical spectroscopy
2019
Multitemperature models are nowadays often used to quantify the ultrafast electron-phonon (boson) relaxations and coupling strengths in advanced quantum solids. To test their applicability and limitations, we perform systematic studies of carrier relaxation dynamics in copper, a prototype system for which the two-temperature model (TTM) was initially considered. Using broadband time-resolved optical spectroscopy, we study the time evolution of the electron distribution function, $f(E)$, over a large range of excitation densities. Following intraband optical excitation, $f(E)$ is found to be athermal over several 100 fs, with a substantial part of the absorbed energy already being transferre…
Nuclear Spins of the IsomersHg191m−185mDetermined by On-Line Quantum-Beat Spectroscopy
1979
The nuclear spins of the very neutron-deficient $^{191m\ensuremath{-}185m}\mathrm{Hg}$ isomers were measured on line at the mass separator ISO LIDE at CERN using pulsed-laser excitation and observation of the time-resolved quantum beats from selected hyperfine-structure states. The spins of these isomers are with $I=\frac{13}{2}$ equal to those of the long-lived isomers $^{199m\ensuremath{-}193m}\mathrm{Hg}$ already known. The persistence of this spin value for eight isomers is explained by the model of rotation-aligned coupling.
A microscopic N N → N N*(1440) potential
2004
By means of a NN → N N* (1440) transition potential derived in a parameter-free way from a quark-model based N N potential, we determine simultaneously the πN N*(1440) and σ N N* (1440) coupling constants. We also present a study of the target Roper excitation diagram contributing to the p(d,d’) reaction.
Modified mode-coupling theory for the collective dynamics of simple liquids
2011
Recently it has been shown that mode-coupling theory, which accounts for the salient features of glassy relaxation near the liquid–glass transition, is also capable of describing the collective excitations of simple liquids away from the glass transition. In order to further improve the agreement between theory and computer simulations on Lennard-Jones argon we modify MCT by taking binary collisions into account. This, in fact, improves the agreement. We also show that multiplying the memory function of the original theory with a reduction factor leads to similar results.
Optomechanical Rydberg-atom excitation via dynamic Casimir-Polder coupling
2014
We study the optomechanical coupling of a oscillating effective mirror with a Rydberg atomic gas, mediated by the dynamical atom-mirror Casimir-Polder force. This coupling may produce a near-field resonant atomic excitation whose probability scales as $\propto (d^2\;a\;n^4\;t)^2/z_0^8$, where $z_0$ is the average atom-surface distance, $d$ the atomic dipole moment, $a$ the mirror's effective oscillation amplitude, $n$ the initial principal quantum number, and $t$ the time. We propose an experimental configuration to realize this system with a cold atom gas trapped at a distance $\sim 2\cdot10 \, \mu$m from a semiconductor substrate, whose dielectric constant is periodically driven by an ext…
Probing the nature of particle–core couplings in 49Ca with γ spectroscopy and heavy-ion transfer reactions
2011
Neutron rich nuclei around 48Ca have been measured with the CLARA–PRISMA setup, making use of 48Ca on 64Ni binary reactions, at 5.9 MeV/A. Angular distributions of γ rays give evidence, in several transfer channels, for a large spin alignment (≈70%) perpendicular to the reaction plane, making it possible to firmly establish spin and parities of the excited states. In the case of 49Ca, states arising from different types of particle–core couplings are, for the first time, unambiguously identified on basis of angular distribution, polarization and lifetime measurements. Shell model and particle–vibration coupling calculations are used to pin down the nature of the states. Evidence is found fo…
Low-lying shears bands in very light odd—odd Bi isotopes
2003
The concept of magnetic rotation in nuclei was introduced to explain the observed regular bands with enhanced M1 transitions and weak or absent E2 crossover transitions in nearly spherical nuclei around 198Pb [1]. These bands can be described by the coupling of high-j proton and neutron configurations to a total spin tilted at an angle of ~ 45° with respect to the symmetry axis. As the proton and neutron spins align with increasing excitation energy, a sequence of ΔI = 1 levels of fixed parity (“shears band”) is formed [2].