Tailoring of motional states in double-well potentials by time-dependent processes

We show that the vibrational state tailoring method developed for molecular systems can be applied for cold atoms in optical lattices. The original method is based on a three-level model interacting with two strong laser pulses in a counterintuitive sequence [M. Rodriguez et al., Phys. Rev. A 62, 053413 (2000)]. Here we outline the conditions for achieving similar dynamics with single time-dependent potential surfaces. It is shown that guided switching between diabatic and adiabatic evolution has an essential role in this system. We also show that efficient and precise tailoring of motional states in optical lattices can be achieved, for instance, simply by superimposing two lattices and moving them with respect to each other.Comment: 9 pages, 11 figures, 25 references; accepted to PRA; v2: minor explanatory remarks added & typos correcte

Kondo Effect of a Magnetic Ion Vibrating in a Harmonic Potential

To discuss Kondo effects of a magnetic ion vibrating in the sea of conduction electrons, a generalized Anderson model is derived. The model includes a new channel of hybridization associated with phonon emission or absorption. In the simplest case of the localized electron orbital with the s-wave symmetry, hybridization with p-waves becomes possible. Interesting interplay among the conventional s-wave Kondo effect and the p-wave one and the Yu-Anderson type Kondo effect is found and the ground state phase diagram is determined by using the numerical renormalization group method. Two different types of stable fixed points are identified and the two-channel Kondo fixed points are generically realized on the boundary.Comment: 15 pages, 17 figures, J. Phys. Soc. Jpn. 80 (2011) No.6 to be publishe

Neutron-Proton Correlations in an Exactly Solvable Model

We examine isovector and isoscalar neutron-proton correlations in an exactly solvable model based on the algebra SO(8). We look particularly closely at Gamow-Teller strength and double beta decay, both to isolate the effects of the two kinds of pairing and to test two approximation schemes: the renormalized neutron-proton QRPA (RQRPA) and generalized BCS theory. When isoscalar pairing correlations become strong enough a phase transition occurs and the dependence of the Gamow-Teller beta+ strength on isospin changes in a dramatic and unfamiliar way, actually increasing as neutrons are added to an N=Z core. Renormalization eliminates the well-known instabilities that plague the QRPA as the phase transition is approached, but only by unnaturally suppressing the isoscalar correlations. Generalized BCS theory, on the other hand, reproduces the Gamow-Teller strength more accurately in the isoscalar phase than in the usual isovector phase, even though its predictions for energies are equally good everywhere. It also mixes T=0 and T=1 pairing, but only on the isoscalar side of the phase transition.Comment: 13 pages + 11 postscript figures, in RevTe

Preference of Small Molecules for Local Minimum Conformations when Binding to Proteins

It is well known that small molecules (ligands) do not necessarily adopt their lowest potential energy conformations when binding to proteins. Analyses of protein-bound ligand crystal structures have reportedly shown that many of them do not even adopt the conformations at local minima of their potential energy surfaces (local minimum conformations). The results of these analyses raise a concern regarding the validity of virtual screening methods that use ligands in local minimum conformations. Here we report a normal-mode-analysis (NMA) study of 100 crystal structures of protein-bound ligands. Our data show that the energy minimization of a ligand alone does not automatically stop at a local minimum conformation if the minimum of the potential energy surface is shallow, thus leading to the folding of the ligand. Furthermore, our data show that all 100 ligand conformations in their protein-bound ligand crystal structures are nearly identical to their local minimum conformations obtained from NMA-monitored energy minimization, suggesting that ligands prefer to adopt local minimum conformations when binding to proteins. These results both support virtual screening methods that use ligands in local minimum conformations and caution about possible adverse effect of excessive energy minimization when generating a database of ligand conformations for virtual screening

Normal-Mode-Analysis–Monitored Energy Minimization Procedure for Generating Small–Molecule Bound Conformations

The energy minimization of a small molecule alone does not automatically stop at a local minimum of the potential energy surface of the molecule if the minimum is shallow, thus leading to folding of the molecule and consequently hampering the generation of the bound conformation of a guest in the absence of its host. This questions the practicality of virtual screening methods that use conformations at local minima of their potential energy surfaces (local minimum conformations) as potential bound conformations. Here we report a normal-mode-analysis–monitored energy minimization (NEM) procedure that generates local minimum conformations as potential bound conformations. Of 22 selected guest–host complex crystal structures with guest structures possessing up to four rotatable bonds, all complexes were reproduced, with guest mass–weighted root mean square deviations of <1.0 Å, through docking with the NEM–generated guest local minimum conformations. An analysis of the potential energies of these local minimum conformations showed that 22 (100%), 18 (82%), 16 (73%), and 12 (55%) of the 22 guest bound conformations in the crystal structures had conformational strain energies of less than or equal to 3.8, 2.0, 0.6, and 0.0 kcal/mol, respectively. These results suggest that (1) the NEM procedure can generate small–molecule bound conformations, and (2) guests adopt low-strain–energy conformations for complexation, thus supporting the virtual screening methods that use local minimum conformations

Spin and orbital effects of Cooper pairs coupled to a single magnetic impurity

The Kondo effect strongly depends on spin and orbital degrees of freedom of unconventional superconductivity. We focus on the Kondo effect in the $p_x + i p_y$-wave and $d_{x^2 - y^2} + i d_{xy}$-wave superconductors to compare the magnetic properties of the spin-triplet and spin-singlet Cooper pairs. The difference appears when both of the paired electrons couple to a local spin directly. For the $p_x + i p_y$-wave, the ground state is always a spin doublet for a $S_{\rm imp} = 1/2$ local spin, and it is always a spin singlet for $S_{\rm imp} = 1$. The latter is due to uniaxial spin anisotropy of the triplet Cooper pair. For the $d_{x^2 - y^2} + i d_{xy}$-wave, the interchange of ground states occurs, which resembles a competition between the Kondo effect and the superconducting energy gap in s-wave superconductors. Thus the internal degrees of freedom of Cooper pairs give a variety to the Kondo effect.Comment: 7 pages, 6 figures, RevTex, to be published in Phys. Rev.

Neutron-proton pairing in the BCS approach

We investigate the BCS treatment of neutron-proton pairing involving time-reversed orbits. We conclude that an isospin-symmetric hamiltonian, treated with the help of the generalized Bogolyubov transformation, fails to describe the ground state pairing properties correctly. In order for the np isovector pairs to coexist with the like-particle pairs, one has to break the isospin symmetry of the hamiltonian by artificially increasing the strength of np pairing interaction above its isospin symmetric value. We conjecture that the np isovector pairing represents part (or most) of the congruence energy (Wigner term) in nuclear masses.Comment: 9 pages, RevTex, submitted to Phys. Rev.

Relative fluorine concentrations in radio frequency/electron cyclotron resonance hybrid glow discharges

The relative concentration of atomic fluorine was measured in a radio frequency (rf) glow discharge and a modified electron cyclotron resonance microwave/rf hybrid discharge in CF4 using an actinometric technique. The dependence of fluorine concentration on rf and microwave power, pressure, flow, and excitation source are presented. Anomalous behavior with rf power at constant microwave power was observed when using the Ar 750‐nm line as the actinometric species.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/70900/2/APPLAB-60-7-818-1.pd

Singular Effects of Impurities near the Ferromagnetic Quantum-Critical Point

Systematic theoretical results for the effects of a dilute concentration of magnetic impurities on the thermodynamic and transport properties in the region around the quantum critical point of a ferromagnetic transition are obtained. In the quasi-classical regime, the dynamical spin fluctuations enhance the Kondo temperature. This energy scale decreases rapidly in the quantum fluctuation regime, where the properties are those of a line of critical points of the multichannel Kondo problem with the number of channels increasing as the critical point is approached, except at unattainably low temperatures where a single channel wins out.Comment: 4 pages, 2 figure