The spin Hamiltonian parameters for the two Cu centers A1 and A2 in the calcined catalysts CuO–ZnO are theoretically investigated using the high order perturbation formulas of these parameters for a 3d ion in tetragonally elongated octahedra. In the above formulas, the tetragonal field parameters Ds and Dt are determined from the superposition model, by considering the relative axial elongation...

A simple model of electron-vibron interactions in buckminster-fullerene ions is solved semiclassically. Electronic degeneracies of C 60 n− induce dynamical Jahn-Teller distortions, which are unimodal for n = 3 and bimodal for n = 3. The quantization of motion along the Jahn-Teller manifold leads to a symmetric-top rotator Hamiltonian. I find Molecular Aharonov-Bohm effects where electronic Berr...

cordance with the mechanism proposed by Jahn, the temperature coefficient leads to a value for the heat of dissociation of ozone into molecular okygen and atomic oxygen. Calculating by thermodynamic methods the concentration of monatomic oxygen at 1000 and 1 atmosphere pressure in 5% ozone, and by kinetic theory methods the number of collisions between molecular ozone and atomic oxygen, it has ...

Studies of La0.7Ca0.3MnO3 epitaxial films on substrates with a range of lattice constants reveal two dominant contributions to the occurrence of colossal negative magnetoresistance (CMR) in these manganites: at high temperatures (T → TC , TC being the Curie temperature), the magnetotransport properties are predominantly determined by the conduction of lattice polarons, while at low temperatures...

Instantaneous (laser-field-dependent) potential energy curves leading to neutral fragmentations of methane were calculated at several laser intensities from 1.4 × 10(13) to 1.2 × 10(14) W/cm(2) (from 1.0 × 10(10) to 3.0 × 10(10) V/m) using ab initio molecular orbital (MO) methods to validate the observation of neutral fragmentations induced by intense femtosecond IR pulses (Kong et al. J. Chem....

A family of Mn(III) dimers of general formula [Mn(R-sao)2(dpa)2](ClO4)2 (1-5) has been synthesised using derivatised phenolic oximes (R-saoH2, where R = H, Me, Et, Ph) in combination with di-(2-picolyl)-amine (dpa). Their structures reveal a double-oxime bridged [Mn(III)(NO)]2 magnetic core in which the Jahn-Teller axes lie perpendicular to the bridging plane, in contrast to two previously repo...

The properties of charge-exchange excitations of 208Pb with ∆L = 0, i.e., the isobaric analog and Gamow-Teller resonances, are studied within a self-consistent model making use of an effective force of the Skyrme type. The well-known isobaric analog case is used to assess the reliability of the model. The calculated properties of the Gamow-Teller resonance are compared with recent experimental ...

We introduce quantum sensing schemes for measuring very weak forces with a single trapped ion. They use the spin-motional coupling induced by the laser-ion interaction to transfer the relevant force information to the spin-degree of freedom. Therefore, the force estimation is carried out simply by observing the Ramsey-type oscillations of the ion spin states. Three quantum probes are considered...