New high-resolution visible emission spectra of the MgH molecule have been recorded with high signal-to-noise ratios using a Fourier transform spectrometer. Many bands of the A 2Pi-->X 2Sigma+ and B' 2Sigma+-->X 2Sigma+ electronic transitions of 24MgH were analyzed; the new data span the v' = 0-3 levels of the A 2Pi and B'2Sigma+ excited states and the v''=0-11 levels of the X 2Sigma+ ground el...

We employ transient absorption from the deep-UV to the visible region and fluorescence upconversion to investigate the photoinduced excited-state intramolecular proton-transfer dynamics in a biologically relevant drug molecule, 2-acetylindan-1,3-dione. The molecule is a ß-diketone which in the electronic ground state exists as exocyclic enol with an intramolecular H-bond. Upon electronic excita...

The many-body ground state of a very general class of electronphonon Hamiltonians is proven to contain a spin singlet (for an even number of electrons on a finite lattice). The phonons interact with the electronic system in two different ways—there is an interaction with the local electronic charge and there is a functional dependence of the electronic hopping Hamiltonian on the phonon coordina...

By means of first-principles calculations, we have systematically investigated the structural, elastic, vibrational, thermal and electronic properties of the ground-state phase for the intermetallic compound U2Mo. Our results reveal that the previously synthesized I4/mmm structure of U2Mo is a metastable phase and unstable, neither thermodynamically nor vibrationally at the ground state. In com...

The many-body ground state of a very general class of electron-phonon Hamiltonians is proven to contain a spin singlet (for an even number of electrons on a nite lattice). The phonons interact with the electronic system in two diierent ways|there is an interaction with the local electronic charge and there is a functional dependence of the electronic hopping Hamiltonian on the phonon coordinate...

An easy reversible switching of the electronic ground state in a pentacoordinated copper(II) complex is reported for the first time. The simple protonation of a carboxylic group in a Cu(II) complex with a {dx(2)-y(2)}(1) electronic configuration leads to a flip of the ground electronic configuration from {dx(2)-y(2)}(1) to {dz(2)}(1) in the metal ion.

We study numerically the ground state magnetization for clusters of interacting electrons in two dimensions in the regime where the single particle wave functions are localized by disorder. It is found that the Coulomb interaction leads to a spontaneous ground state magnetization. For a constant electronic density, the total spin increases linearly with the number of particles, suggesting a fer...

The finite-size scaling method is used to calculate the critical parameters for the lithium isoelectronic series. The critical nuclear charge, which is the minimum charge necessary to bind three electrons, for the ground state was found to be Zc . 2. Results show that the analytical behavior of the energy as a function of the nuclear charge for lithium is completely different from that of heliu...