Search results for "Ground state"
showing 10 items of 928 documents
Exploring two-state reaction pathways in the photodimerization of cyclohexadiene.
2006
The ground- (S0) and lowest triplet-state (T1) pathways associated with dimerization of cyclohexadiene to give [2+2] and [4+2] cycloadducts have been theoretically studied at the UBLYP and UB3LYP levels of theory with the 6-31G* basis set. The DFT energies were validated by CCSD(T) single-point energy calculations. These cycloaddition reactions follow stepwise mechanisms with formation of bis-allylic biradical (BB) intermediates. In the S0 ground state, the interaction between two cyclohexadiene molecules with formation of BB intermediate IN(S0) has a large activation enthalpy of 32.0 kcal mol(-1). On the other hand, C-C bond-formation in the lowest triplet state (T1) leading to BB intermed…
Dichroic atomic vapor laser lock with multi-gigahertz stabilization range
2016
A dichroic atomic vapor laser lock (DAVLL) system exploiting buffer-gas-filled millimeter-scale vapor cells is presented. This system offers similar stability as achievable with conventional DAVLL system using bulk vapor cells, but has several important advantages. In addition to its compactness, it may provide continuous stabilization in a multi-gigahertz range around the optical transition. This range may be controlled either by changing the temperature of the vapor or by application of a buffer gas under an appropriate pressure. In particular, we experimentally demonstrate the ability of the system to lock the laser frequency between two hyperfine components of the $^{85}$Rb ground state…
Time-dependent resonance interaction energy between two entangled atoms under nonequilibrium conditions
2018
We consider the time-dependent resonance interaction energy between two identical atoms, one in the ground state and the other in an excited state, and interacting with the vacuum electromagnetic field, during a nonequilibrium situation such as the dynamical atomic self-dressing process. We suppose the two atoms prepared in a correlated, symmetric or antisymmetric, state. Since the atoms start from a nonequilibrium conditions, their interaction energy is time dependent. We obtain, at second order in the atom-field coupling, an analytic expression for the time-dependent resonance interaction energy between the atoms. We show that this interaction vanishes when the two atoms are outside the l…
High-resolution laser system for the S3-Low Energy Branch
2022
International audience; In this paper we present the first high-resolution laser spectroscopy results obtained at the GISELE laser laboratory of the GANIL-SPIRAL2 facility, in preparation for the first experiments with the S$^3$-Low Energy Branch. Studies of neutron-deficient radioactive isotopes of erbium and tin represent the first physics cases to be studied at S$^3$. The measured isotope-shift and hyperfine structure data are presented for stable isotopes of these elements. The erbium isotopes were studied using the $4f^{12}6s^2$$^3H_6 \rightarrow 4f^{12}(^3 H)6s6p$$J = 5$ atomic transition (415 nm) and the tin isotopes were studied by the $5s^25p^2 (^3P_0) \rightarrow 5s^25p6s (^3P_1)$…
Photoinduced Electron Transfer in Multiporphyrinic Interlocked Structures: The Effect of Copper(I) Coordination in the Central Site
2004
Photoinduced processes have been determined in a [2]catenane containing a zinc(II) porphyrin, a gold(III) porphyrin, and two free phenanthroline binding sites, Zn-Au(+), and in the corresponding copper(I) phenanthroline complex, Zn-Cu(+)-Au(+). In acetonitrile solution Zn-Au(+) is present in two different conformations: an extended one, L, which accounts for 40 % of the total, and a compact one, S. In the L conformation, the electron transfer from the excited state of the Zn porphyrin to the gold-porphyrin unit (k = 1.3x10(9) s(-1)) is followed by a slow recombination (k = 8.3x10(7) s(-1)) to the ground state. The processes in the S conformation cannot be clearly resolved but a charge-separ…
Fayans functional for deformed nuclei. Uranium region
2016
Fayans energy density functional (EDF) FaNDF^0 has been applied to the nuclei around uranium region. Ground state characteristics of the Th, U and Pu isotopic chains, up to the two-neutron drip line, are found and compared with predictions from several Skyrme EDFs. The two-neutron drip line is found for FaNDF^0, SLy4 and SkM^* EDFs for a set of elements with even proton number, from Pb up to Fm.
Time-dependent ground-state correlations in heavy ion scattering
1982
Using a time-dependent generator-coordinate method, we derive a theory for time-dependent collective ground-state correlations which account for some quantum fluctuations about a TDHF trajectory. This theory is particularly suited for evaluating spreading widths of collective one-body operators. As an application we study head-on collision of heavy ions in a one-dimensional model. As one of the prominent results we find a substantial enhancement of the spreading width of the internal excitation energy due to the correlations.
Synthesis, X-ray structure and magnetic properties of the azido adducts of quadridentate Schiff base manganese(III) complexes
2004
Abstract Two new azido derivatives of quadridentate Schiff base manganese(III) complexes have been synthesized and characterized structurally and magnetically. X-ray structure analysis revealed that both complexes viz. [Mn2(L1)2(N3)2] (1) and [Mn2(L2)2(N3)2] (2), where H2L1=N,N′-(1,1-dimethylethylene)-bis-(salicylaldiimine) and H2L2=bis(o-hydroxyacetophenone)-ethylenediimine exist as phenoxo-bridged dimer. The magnetic susceptibility of the complexes has been measured in the 5–300 K range. At room temperature the MnIII ions in complexes 1 and 2 possess an S=4 ground state. The global magnetic interaction in complex 1 is found to be ferromagnetic, while for complex 2 it is anti-ferromagnetic.
Double beta decays of 124Xe investigated in the QRPA framework
2013
The two-neutrino (2ν2β) and neutrinoless (0ν2β) double beta decays of 124Xe are investigated. Decays to the ground state, , and various 0+ and 2+ excited states in 124Te are considered. The corresponding nuclear matrix elements have been calculated by using the quasiparticle random-phase approximation combined with the multiple-commutator model. G-matrix-based effective nuclear interactions have been used in realistic single-particle model spaces. All possible channels, β+β+, β+EC, and ECEC, are discussed for both the 2ν2β and 0ν2β decays. The associated half-lives are computed, in particular the one corresponding to the resonant neutrinoless double electron capture transition to the 2790.4…
MS-CASPT2 analysis of the UV thermochromism of octamethyltrisilane
2006
We interpret the reversal of the direction of the thermochromic shift of the first absorption band of peralkylated oligosilanes as the silicon chain is extended, based on multistate complete active space second-order perturbation theory (MS-CASPT2) calculations for octamethyltrisilane, Si3Me8. The observed shift is attributed to the effect of b1 distortions from ground state equilibrium geometry on vertical excited state energies and intensities. A generally contracted basis set of atomic natural orbitals (ANOs) at a ground state geometry optimized in the second-order Moller–Plesset perturbation theory (MP2) approximation with Dunning's correlation consistent triple-zeta basis set (cc-pVTZ)…