Absence of symmetry breaking for systems of rotors with random interactions

We prove that Gibbs states for the Hamiltonian , with thes _x varying on theN-dimensional unit sphere, obtained with nonrandom boundary conditions (in a suitable sense), are almost surely rotationally invariant if withJ _xy i.i.d. bounded random variables with zero average, 1 in one dimension, and 2 in two dimensions.     

Dynamics of the current-driven Josephson junction

The irreversible macroscopic dynamics of the Josephson junction coupled to external wires acting as a current source is derived rigorously from the underlying microscopic Hamiltonian quantum mechanics. The external systems are treated in the singular coupling limit. The use of this limit is explicitly justified via an interpretation of the singular coupling limit in terms of the relative magnitudes of system, reservoir, and coupling energies. The qualitative behavior of the macroscopic dynamical equations is shown to depend sensitively and crucially on the interaction between the wires and the superconductors and on the size of the wires: the dc Josephson effect only happens when one lets Cooper pairs be driven into the junction by collective (i.e., small) reservoirs.     

Synthesis on the basis of electrogenerated carbenes

A series ofS _N2 reactions with halomethanes as substrates and the corresponding anions as nucleophiles were studied by the semiempirical MNDO and AM1 methods, taking into account solvent effects. Analysis of the kinetics, structures of reagents, intermediates and products, and charge distribution in them allows one to draw the conclusion that the retardation ofS _N2 reactions is stronger in solvents than in the gas phase, and the rates of reactions involving anions with a lower number of halogen atoms are higher.For Part 8 see Ref. 1.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 11, pp. 2148–2154, November, 1995.This work was partially financially supported by the International Science Foundation (Grant No. MHYOO).     

Dynamics of intramolecular processes in electronic-excited states of 2,4,5-triarylimidazole molecules

Intramolecular processes in electronic-excited states of 2,4,5-triarylimidazole molecules were studied by femtosecond laser spectroscopy. Experiments were carried out with two types of compounds, namely, those experiencing intramolecular proton transfer and two model compounds in which it is impossible. Schemes of the processes studied were proposed and the characteristic rate constants were determined. The excited-state intramolecular proton transfer (ESIPT) in the molecules with planar structure of the reaction center is a very fast process (100 fs). If the reaction center has a nonplanar structure and, hence, the intramolecular hydrogen bond is weakened, the ESIPT time is determined by the time of conformational rearrangement of the molecule.     

NH_2基态和激发态的SAC－CI和量子拓扑方法研究

ＮＨ_２基态和激发态的ＳＡＣ－ＣＩ和量子拓扑方法研究郑世钧，蔡新华，宋天乐，孟令鹏，中迁博，波田雅彦（河北师范学院化学系，石家庄，０５００９１）（京都大学工程学院京都，日本）关键词ＳＡＣ－ＣＩ方法，激发态，电子密度，拓扑分析用量子拓扑学方法研究激发态...     

In search of new resonance structures in dissociative photoionization of H2

We present a theoretical study of dissociative photoionization of H₂ via the ¹Π_u symmetry in the photon energy range 30–43 eV. Our results explain the various peaks observed in the experiments below 40 eV and illustrate, in particular, the important role of the ²Π_u(2pπ_u) ionization threshold. At higher photon energies, they suggest the existence of new resonance structures that may be associated with doubly excited states of H₂ lying above the third and fourth ionization thresholds (the Q₃ and Q₄ resonance series). From the calculated resonance parameters, we conclude that the dominant mechanism at high photon energies should involve the Q₄ (and probably higher) doubly excited states of H₂. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2002     

Proton Relaxometry of Long-Lived Spin Order

A study of long-lived spin order in chlorothiophene carboxylates at both high and low magnetic fields is presented. Careful sample preparation (removal of dissolved oxygen in solution, chelating of paramagnetic impurities, reduction of convection) allows one to obtain very long-lived singlet order of the two coupled protons in chlorothiophene derivatives, having lifetimes of about 130 s in D₂O and 240 s in deuterated methanol, which are much longer than the T₁-relaxation times (18 and 30 s, respectively, at a field =9.4 T). In protonated solvents the relaxation times become shorter, but the lifetime is still substantially longer than . In addition, long-lived coherences are shown to have lifetimes as long as 30 s. Thiophene derivatives can be used as molecular tags to study slow transport, slow dynamics and slow chemical processes, as has been shown in recent years.     

Doubly excited3Se,3De and3Ge states of two-electron atomic systems

Summary Time-dependent perturbation theory has been applied to calculate the doubly excited triplet statesNsns:³S^e,Npnp:³D^e andNdnd:³G^e (N=2, 3, 4,n=N+1, ... ,5) for He, Li⁺, Be²⁺ and B³⁺. A time-dependent harmonic perturbation causes simulataneous excitation of both the electrons with a change of spin state. The doubly excited energy levels have been identified as the poles of an appropriately constructed linearized variational functional with respect to the driving frequency. In addition to the transition energies, effective quantum numbers of these doubly excited states have been calculated and analytic representations of their wave functions are obtained. These are utilized to estimate the Coulomb repulsion term for these states which checks the consistency of the wave functions. These wave functions may also be used for calculating other physical properties of the systems.