One-body dissipation and nuclear dynamics

We discuss recent developments in the “one-body” dissipation theory described in B?ocki et al. [Ann. Phys. (N.Y.)113 (1978), 330]. The principal new result is the derivation of the functional form of the dissipation expression (the Rayleigh Dissipation Function) for a finite idealized nucleus with a diffuse surface, in the form of an expansion in powers of the dimensionless ratio of the surface diffuseness to the size, R, of the system. The leading term in such an expansion is a surface contribution, of relative order R², in the form of the “Wall Formula” of B?ocki et al. The next is a curvature correction of order R. At the next level (R⁰) there are two higher order curvature corrections and a correction for the presence of gradients in the normal velocity field specifying the motion of the surface. For simple models of the nuclear surface profile we work out analytically the coefficients in the curvature and velocity-gradient correction terms. We compare the one-body dissipation theory formulated in this way with recent linear-response and Time-Dependent Hartree-Fock treatments of the nuclear problem. The principal theme that emerges from this study is the close analogy between the problem of the nuclear macroscopic dissipation function and the problem of the nuclear macroscopic potential energy.     

Microscopic theory of brownian motion: III. The nonlinear Fokker-Planck equation

The nonlinear Fokker-Planck equation for the momentum distribution of a brownian particle of mass M in a bath of particles of mass m is derived. The contribution to this equation arising from initial deviation from bath equilibrium is analysed. This contribution is free of slow M-dependent decays and with certain restrictions leads to an effective shift in the initial value of the B particle momentum. The nonlinear Fokker-Planck equation for an initial bath equilibrium state is analyzed in terms of its predictions for momentum relaxation and mode coupling effects. It is found that in addition to nonlinear renormalization of the type previously found for the momentum correlation function, mode coupling leads to long-lived memory of the initial momentum state.     

A precise solution of the rotation bending Schrödinger equation for a triatomic molecule with application to the water molecule

In this paper we report the results of improving the non-rigid bender formulation of the rotation-vibration Hamiltonian of a triatomic molecule [see A. R. Hoy and P. R. Bunker, J. Mol. Spectrosc., 52, 439 (1974)]. This improved Hamiltonian can be diagonalized as before by a combination of numerical integration and matrix diagonalization and it yields rotation-bending energies to high values of the rotational quantum numbers. We have calculated all the rotational energy levels up to J = 10 for the (v₁, v₂, v₃) states (0, 0, 0) and (0, 1, 0) for both H₂O and D₂O. By least squares fitting to the observations varying seven parameters we have refined the equilibrium structure and force field of the water molecule and have obtained a fit to the 375 experimental energies used with a root mean square deviation of 0.05 cm^?1. The equilibrium bond angle and bond length are determined to be 104.48° and 0.9578 Å respectively. We have also calculated these energy levels using the ab initio equilibrium geometry and force constants of Rosenberg, Ermler and Shavitt [J. Chem. Phys., 65, 4072 (1976)] and this is then the first complete ab initio calculation of rotation-vibration energy levels of high J in a polyatomic molecule to this precision. the rms fit of these ab initio energies to the experimental energies for the H₂O molecule is 2.65 cm^?1.     

Asymptotics of work distributions in a stochastically driven system

We determine the asymptotic forms of work distributions at arbitrary times T, in a class of driven stochastic systems using a theory developed by Nickelsen and Engel (EN theory) [D. Nickelsen and A. Engel, Eur. Phys. J. B 82, 207 (2011)], which is based on the contraction principle of large deviation theory. In this paper, we extend the theory, previously applied in the context of deterministically driven systems, to a model in which the driving is stochastic. The models we study are described by overdamped Langevin equations and the work distributions in path integral form, are characterised by having quadratic augmented actions. We first illustrate EN theory, for a deterministically driven system – the breathing parabola model, and show that within its framework, the Crooks fluctuation theorem manifests itself as a reflection symmetry property of a certain characteristic polynomial, which also determines the exact moment-generating-function at arbitrary times. We then extend our analysis to a stochastically driven system, studied in references [S. Sabhapandit, EPL 89, 60003 (2010); A. Pal, S. Sabhapandit, Phys. Rev. E 87, 022138 (2013); G. Verley, C. Van den Broeck, M. Esposito, New J. Phys. 16, 095001 (2014)], for both equilibrium and non-equilibrium steady state initial distributions. In both cases we obtain new analytic solutions for the asymptotic forms of (dissipated) work distributions at arbitrary T. For dissipated work in the steady state, we compare the large T asymptotic behaviour of our solution to the functional form obtained in reference [New J. Phys. 16, 095001 (2014)]. In all cases, special emphasis is placed on the computation of the pre-exponential factor and the results show excellent agreement with numerical simulations. Our solutions are exact in the low noise (β →?∞) limit.     

The existence of a phase transition in classical antiferromagnetic models

For a wide class of antiferromagnetic models we prove the existence of a phase transition using an extended Peierls argument, taking into account a result of Dobrushin [R. L. Dobrushin,Funct. Anal. Appl. 2:44 (1968); in English,2:302 (1968)] for an antiferromagnetic Ising model and the results of Malyshev [V. Malyshev,Comm. Math. Phys. 40:75–82 (1975)] for ferromagnetic models (such as the anisotropic rotator). In particular we review a result of Fröhlich, Israel, Lieb, and Simon [J. Fröhlichet al., J. Stat. Phys. 22(3):297–347 (198)] obtained when reflection positivity holds.     

Estimation of the nuclear distortion in the Coulomb breakup of 6Li into α + d in the field of 208Pb ion

In this article the results of the evaluation of the contribution of nuclear disintegration, based on the basis of diffraction theory in the ²⁰⁸Pb(⁶Li, αd)²⁰⁸Pb Coulomb breakup at an energy of 156 MeV is presented. Comparison of the results of the calculation with the experimental data of Kiener et al. [Phys. Rev. C 44, 2195 (1991)] gives evidence for the dominance of the Coulomb dissociation mechanism and contribution of nuclear distortion, but essentially smaller than the value reported byHammache et al. [Phys. Rev. C 82, 065803 (2010)] and Sümmerer [Prog. Part. Nucl. Phys. 66, 298 (2011)].     

Charge displaced by a one-body potential in a Fermion assembly in terms of the highest occupied state

For (i) a slowly varying potential V(r) in a Fermi gas and (ii) N particles moving in a linear harmonic-oscillator potential, the total displaced charge and the particle density are respectively written in terms of the highest occupied state.     

Laser fields at flat interfaces: II. Plasmon resonances in aluminium photoelectron spectra

Using the model derived in paper I?[G. Ra?eev, Eur. Phys. J. D 66, 167 (2012)], this work presents calculations of the photoelectron spectrum (PES) of low index aluminium surfaces in the 10?C30?eV region. The laser is p or transverse magnetic linearly polarized incident on a flat structureless surface and its fields are modeled in I using the vector potential in the temporal gauge. This model uses a tensor and non-local isotropic (TNLI) susceptibility and solves the classical Ampère-Maxwell equation through the use of the vector potential from the electron density-coupled integro-differential equations (VPED-CIDE). The PE cross sections are the squares of the PE transition moments calculated using the VPED-CIDE vector potential function of the penetration coordinate. The PES is obtained in a one step model using either the Fermi golden rule or the Weisskopf-Wigner (WW) expressions. The WW cross section PES compares favorably with the experimental angle and energy resolved photoelectron yield (AERPY) spectrum of Levinson et?al. [Phys. Rev. Lett. 43, 952 (1979)], Levinson and Plummer [Phys. Rev. B 24, 628 (1981)] for Al(001) and of Barman et?al.?[Phys. Rev. B 58, R4285 (1998)], Barman [Curr. Sci. 88, 54 (2005)] for Al(111) surfaces. As in the experiment, our theoretical AERPY displays the multipole surface plasmon resonance at 11.32/12.75 eV for Al(001)/Al(111), mainly due to the surface contribution |??? _f |p·A|?? _i ?|², the bulk plasmon minimum at 15 eV and the two single particle excitation resonances at about 16 and 22 eV. The nature of the plasmon resonances of the PES is analyzed using the reflectance, the electron density induced by the laser and Feibelman??s parameter d _?? all introduced in paper?I.     

Dissipative quantum dynamics in a multiwell system

We investigate the dynamics of a quantum particle moving in a tight-binding lattice and coupled to a heat bath environment. Using the Feynman-Vernon influence functional method, we obtain an exact series representation in powers of the tunneling matrix for the generating functional of moments of the probability distribution which is valid for arbitrary temperatures and linear dissipation. We prove that the Einstein relation between the linear mobility and the diffusion coefficient holds to any order of the expansion for Ohmic, and for a restricted region of super-Ohmic dissipation. We also compute in the Ohmic case the mobility in certain regions of the parameter space. In particular, we find that the low temperature correction to the zero temperature mobility behaves asT ², and we also determine the prefactor. Finally, the exact solution of the dynamics for any times, temperatures and bias is presented for a particular value of the damping strength in the case of strict Ohmic dissipation.     

Correlated states and transparency of a barrier for low-energy particles at monotonic deformation of a potential well with dissipation and a stochastic force

The features of the formation of correlated coherent states of a particle in a parabolic potential well at its monotonic deformation (expansion or compression) in finite limits have been considered in the presence of dissipation and a stochastic force. It has been shown that, in both deformation regimes, a correlated coherent state is rapidly formed with a large correlation coefficient |r| → 1, which corresponds at a low energy of the particle to a very significant (by a factor of 10⁵⁰–10¹⁰⁰ or larger) increase in the transparency of the potential barrier at its interaction with atoms (nuclei) forming the “walls” of the potential well or other atoms located in the same well. The efficiency of the formation of correlated coherent states, as well as |r|, increases with an increase in the deformation interval and with a decrease in the deformation time. The presence of the stochastic force acting on the particle can significantly reduce the maximum |r| value and result in the fast relaxation of correlated coherent states with |r| → 0. The effect of dissipation in real systems is weaker than the action of the stochastic force. It has been shown that the formation of correlated coherent states at the fast expansion of the well can underlie the mechanism of nuclear reactions at a low energy, e.g., in microcracks developing in the bulk of metal hydrides loaded with hydrogen or deuterium, as well as in a low-pressure plasma in a variable magnetic field in which the motion of ions is similar to a harmonic oscillator with a variable frequency.     

The potential function and rotation-vibration energy levels of the methyl radical CH3

The equilibrium bond length and the shape of the complete potential energy curve for the methyl radical CH₃ are determined. This is done by fitting the experimental data [mainly from C. Yamada, E. Hirota, and K. Kawaguchi, J. Chem. Phys.75, 5256–5264 (1981)] using the nonrigid invertor Hamiltonian and a model anharmonic potential function. As a result the v₂ (out-of-plane bending) dependence of the rotational constants is explained and the v₂ dependence of the spin-rotation coupling constants is modeled. In addition, some of the vibrational energies and rotational, centrifugal distortion, and spin-rotation constants are predicted for the ¹³CH₃, ¹²CD₃, and ¹²CT₃ isotopes.     

Electronic transition dipole moment functions for transitions among the twenty-six lowest-lying states of Li2

Ab initio electronic transition dipole moment functions are calculated for all dipole-allowed transitions among the 26 states of Li₂ treated by D. D. Konowalow and J. L. Fish (Chem. Phys. 77, 435–448 (1983); Chem. Phys. 84, 463–475 (1984)). Many of the moments exhibit interesting behavior due to charge transfer or ion pair character. Comparisons are made with existing empirical and theoretical determinations of the 1¹Σ_u⁺-1¹Σ_g⁺ and 1¹Π_u-1¹Σ_g⁺ transition moments. The positions of a number of satellite bands are predicted from the potential energy difference curves.     

New N2+Electronic States in the Region of 23–28 eV

Threshold photoelectron spectra of N₂⁺were measured between 23.4 and 27.6 eV with high resolution and high intensity by using the penetrating field technique and synchrotron radiation. Five vibrational progressions were observed. The first of these progressions was theC²Σ_u⁺state. The second progression was identified as the transition to the second state of²Π_gsymmetry found by P. Baltzer, M. Larsson, L. Karlsson, B. Wannberg, and M. Carlsson (1992.Phys. Rev. A46,5545). The third progression, which was discovered by F. Merkt and P. M. Guyon (1993.J. Chem. Phys.99,3400), can be designated as the²Σ_u⁻state by comparison with previous theoretical study (E. W. Thulstrup and A. Andersen, 1975.J. Phys. B8,965). The fourth and fifth progressions were designated as the²Δ_uand 2²Π_ustates by similar comparison with previous theories.     

Cosmological constant: a lesson from the effective gravity of topological weyl media

Topological matter with Weyl points, such as superfluid ³He-A, provide an explicit example where there is a direct connection between the properly determined vacuum energy and the cosmological constant of the effective gravity emerging in condensed matter. This is in contrast to the acoustic gravity emerging in Bose-Einstein condensates (S. Finazzi, S. Liberati, and L. Sindoni, Phys. Rev. Lett. 108, 071101 (2012); arXiv:1103.4841). The advantage of topological matter is that the relativistic fermions and gauge bosons emerging near the Weyl point obey the same effective metric and thus the effective gravity is more closely related to real gravity. We study this connection in the bi-metric gravity emerging in ³He-A, and its relation to the graviton masses, by comparison with a fully relativistic bi-metric theory of gravity. This shows that the parameter ??, which in ³He-A is the bi-metric generalization of the cosmological constant, coincides with the difference in the proper energy of the vacuum in two states (the nonequilibrium state without gravity and the equilibrium state in which gravity emerges) and is on the order of the characteristic Planck energy scale of the system. Although the cosmological constant ?? is huge, the cosmological term T _??? ^?? itself is naturally non-constant and vanishes in the equilibrium vacuum, as dictated by thermodynamics. This suggests that the equilibrium state of any system including the final state of the Universe is not gravitating.     

Pulsed NMR frequency shifts in superfluid 3He

We report the first measurements of the NMR frequency in ³He A and B under conditions where the net magnetization, M, is tipped far from its equilibrium direction along H_O. In ³He A the frequency shift ω - γH_O varies from the continuous wave value at tipping angle Φ = 0 to a negative shift at Φ = 180°. In ³He B no frequency shift is observed, however for Φ ? 100° a beat pattern is seen to develop in the free induction decay envelope.     

Pairing energy of liquid 4He

The two-particle density matrix of a Bose system described by a Jastrow wave function displays off-diagonal long-range order associated with strong correlations between pairs of bosons with non-zero momenta ?q, -?q. In conjunction with the zero-momentum condensate, these correlations give rise to a finite contribution to the energy expectation value per particle, which is calculated for liquid ⁴He at two values of the density.     

Nonmonotonic Dependence of the Absolute Entropy on Temperature in Supercooled Stillinger-Weber Silicon

Using a recently developed thermodynamic integration method, we compute the precise values of the excess Gibbs free energy (G ^e ) of the high density liquid (HDL) phase with respect to the crystalline phase at different temperatures (T) in the supercooled region of the Stillinger-Weber (SW) silicon (Stillinger and Weber in Phys. Rev. B 31:5262?C5271, 1985). Based on the slope of G ^e with respect to T, we find that the absolute entropy of the HDL phase increases as its enthalpy changes from the equilibrium value at T??1065 K to the value corresponding to a non-equilibrium state at 1060?K. We find that the volume distribution in the equilibrium HDL phases become progressively broader as the temperature is reduced to 1060 K, exhibiting van-der-Waals (VDW) loop in the pressure-volume curves. Our results provides insight into the thermodynamic cause of the transition from the HDL phase to the low density phases in SW silicon, observed in earlier studies near 1060?K at zero pressure.