Evaluation of thesscf andpy approximations for quadrupolar fluids

Two approximations, the single super chainf-expansion (sscf), and Percus-Yevick (py) approximation, are evaluated for a molecular fluid in which the molecules interact with a pair potential, that is the sum of Lennard-Jones and quadrupole-quadrupole parts at two values of reduced quadrupole moment. These results are compared with Monte-Carlo results. Except for the harmonic coefficienth (222;r), thesscf approximation seems to be quite accurate for the lower value of quadrupole moment but at higher valuespy approximation produces much better results except forh(220;r).     

Extended-ion approximation and pressure shifts inF-band energies

Pressure variation of maximumF-band absorption energies in the halides of lithium, sodium and potassium has been investigated employing the extended-ion approximation for the calculation of theF-electron energy eigenvalues and using values of local compressibility in the neighbourhood of theF-centres which include the effect of vacancy and pressure. The results obtained agree with the experimental results.     

Low-lying excited states of quantum antiferromagnets on a triangular lattice

We study low-lying states of theXY and Heisenberg antiferromagnets on a triangular lattice to clarify whether spontaneous symmetry breaking occurs atT=0 in the thermodynamic limit. Approximate forms of low-lying states are proposed, in which degrees of freedom of the sublattice magnetization and of the chirality are separated. These approximate states have a long-range order and twofold structures. It is shown that low-lying states can be accurately described with the present approximation. It has been argued that low-lying states play an important role in symmetry breaking. With the help of this approximation, we discuss the contribution of low-lying states to symmetry breaking of two types, namely creation of the spontaneous sublattice magnetization and the spontaneous chirality. Furthermore, to show evidence for the occurrence of symmetry breaking, we numerically study the low-lying states of finite systems of theXY and Heisenberg antiferromagnets. It is found that the necessary conditions for the symmetry breaking to occur are satisfied in these models.     

Collisional excitation of neon-like Ni XIX using the Breit-PauliR-matrix method

Collision strength for the transition within the first five fine-structure levels in Ni XIX are calculated using the Breit-PauliR-matrix method. Configuration interaction wave functions are used to represent the target states included in theR-matrix expansion. The relativistic effects are incorporated in the Breit-Pauli approximation by including the one-body mass correction, Darwin and spin-orbit interaction terms in scattering equations.     

Dipionic decays of psions in a local derivative coupling model

A local derivative coupling model is used to study theφ′→ππ and other dipionic decays ofφ andφ″, as an alternative to theε-model. The results obtained are quite satisfactory. We findt hat the existence of theε-resonance is not essential in order to understand the dipionic decays of the psions at the present level of experimental data available. A preliminary version of this paper was presented at the 3rd High Energy Phys. Symp. held in Nov. 1976 at Bhubaneswar.     

Green’s functions in quantum chemistry I. The Σ perturbation method

As an improvement over the Hartree-Fock approximation, we investigate a Green’s Function method—theΣ perturbation method—for molecular calculations. The method is applied to hydrogen molecule and to theπ-electron system of ethylene under PPP approximation. When the algebraic approximation is used, the energy obtained is better than that of the HF approach, but is not as good as that of the configuration-interaction method. The main advantage of this procedure is that it is devoid of the most serious defect of HF method, viz. incorrect dissociation limits.     

Deuteron size effects on its elastic scattering from1H and4He

The effect of change in deuteron size on its elastic scattering from protons and alphas is investigated by varying the Hulthen parameters of the deuteron wave function in the scattering process. The cross sections forp-d scattering, calculated in the Born approximation, are found to increase substantially at backward angles even when the deuteron size is reduced by a small amount, whereas the shape of the angular distribution does not change significantly. For theα-d elastic scattering, interaction potential is obtained by folding the deuteron wave function and the optical potential for nucleon-scattering. The cross sections calculated atE _d = 13·7 MeV, shows that the first minimum around Θ_cm = 60° is deepend as the deuteron size is reduced, while at 52 MeV bombarding energy, the size effects are not very distinct. These observations are useful in the interpretation of deuteron cluster knockout reactions.     

Muonic Molecule Formation in Condensed Deuterium

Resonant formation of the muonic molecule ddμ in dμ atom scattering in condensed deuterium is considered. In particular, ddμ formation in D₂ solid targets containing different ortho-D₂ concentration is discussed, and the respective time spectra of the dd fusion products are shown. The results of the first calculation of the resonant ddμ formation rate in liquid deuterium are presented. At large momentum transfers the ddμ formation rate takes the Doppler form, similar to that obtained for a dilute gas target. A condition of validity of this approximation is also discussed. This revised version was published online in August 2006 with corrections to the Cover Date.     

On the band structure of CdSb

The paper consists of two parts. Throughout the first part only the symmetry properties and the existence of the gap are employed for a study of electron bands in CdSb by means of group theory. A general structure of valence bands is obtained, the possible locations of extrema limiting the gap are discussed, and a criterion for the conservation of the gap after switching off the spin-orbit interaction is deduced.In the second part a simple version of thel-dependent pseudopotential suitable for crystals with many atoms in the elementary cell is proposed and the corresponding structure of energy levels in the point is calculated. The results indicate the starting approximation of free electrons to be reasonable and support the hypothesis that the gap arises even before the spin-orbit effects are accounted for.     

Green’s functions in quantum chemistry II. Improving the Σ perturbation approach

Two methods, which are expected to lead to results better than those of theΣ perturbation approach given earlier are investigated. Within the algebraic approximation, the methods are applied to the hydrogen molecule and to ethylene in the Pariser-Parr-Pople (PPP) approximation. Both the methods are seen to suffer from the defect of not conserving the number of particles in the system. The methods are (a) the use of a partitioning other than Hartee-Fock. Due to the non-conservation of particle number, the method does not seem to be suited for the calculation of the ground state energy, but it gives good results for ionisation potentials. The investigation reveals that the only partitioning which conserves the number of particles is the Hartree-Fock partitioning (b) the renormalisedΣ perturbation method, suggested by Csnak and others. For ethylene in the PPP approximation, the method does conserve the number of particles (but not in general). However, the energy obtained is not as good as that in theΣ perturbation method. This method therefore seems to be of limited applicability in molecular calculations.     

Positronium formation by electron capture from hydrogen-like ions

Two different impulse approximations are provided for the problem of fast positron collisions with hydrogen-like ions. One of the impulse approximations is formulated by making a consistent expansion of the scattering wave function in powers of the weak interaction to the strong. The other impulse approximation is formulated by making a consistent expansion of theT-matrix in powers of the weak interaction to the strong. In this impulse approximation, the opposite limits of the target nuclear charge tending to zero and to infinity are examined. Differential and angle-integrated cross sections are computed for ground-state positronium formation from hydrogen within the impulse approximations. The full peaking approximation is employed in the evaluation of theT-matrix. By 300 eV, the impulse approximations for the angle-integrated cross section are in close agreement with the strong potential Born and the exact second Born calculations.     

Some comments on the Coriolis attenuation problem

To explore the Coriolis attenuation problem we have carried out a schematici _13/2 rotor plus single quasi-particle band-mixing calculation. The results reveal that the calculations are largely insensitive towards the location of the Fermi energy near the low-K single particle states only, and therefore are incapable of taking into account the transition from ‘full’ decoupling to ‘partial’ decoupling as the Fermi level is increased. We trace the possible reasons for this insensitivity and find that this may be primarily due to thebcs approximation for calculating the quasiparticle energies.     

Brueckner calculations in harmonic-oscillator basis I. The method

The problem of solving the reaction matrix equation in harmonic-oscillator basis is studied. A general approximation of the Pauli operator, diagonal with respect to the centre-of-mass quantum numbers, is derived and method for solving the corresponding Bethe-Goldstone equation is proposed and compared with other methods. The accuracy of the approximation is estimated and found to be satisfactory, especially if the method is applied to the⁴He nucleus, in which case the Pauli corrections to the most importantt-matrix elements vanish.     

Coherent potential approximation for a disordered diatomic linear chain having diagonal and off-diagonal randomness

A coherent potential approximation (cpa) for a mixed diatomic linear chain including both mass and force constant changes has been developed. In this case an impurity atom substituted at a particular site in one of the sublattices couples with two nearest neighbour atoms in the other sublattices. The diatomic linear chain is therefore considered as a tetratomic linear chain, the size of the unit cell being twice the original. Thecpa density of states and the dielectric susceptibility have been calculated. The numerical values of the later have been calculated in theata (averaget-matrix approximation) limit. Comparison of these results with the experimental and other computer calculations show a qualitative agreement.     

RPA for the linewidth of the van der Pol Oscillator

The linewidth of then component van der Pol Oxcillator is calculated in random phase approximation. Forn=2 this model describes a single mode laser. This approximation is asymptotically correct for weak and strong pumping and also in the largen limit for all pumping. The result is in good agreement with numerical results forn=2 in the whole range including the threshold. The corresponding vertex renormalized approximation on the other hand yields poor agreement and the wrong asymptotic value in the limit of strong pumping. The reason for this failure is discussed.     

Trinucleon system with Reid soft core potential by hyperspherical harmonics expansion method

The hyperspherical harmonics expansion method has been used to solve the trinucleon system where the nucleons interact through Reid soft core potential. The binding energy of triton, both for extreme adiabatic approximation and uncoupled adiabatic approximation, and theS-state,S′-state andD-state probabilities are calculated and compared with the results by the Faddeev method.     

Resonances inη-light nucleus systems

We locate resonances inη-light nucleus elastic scattering using the time delay method. We solve few-body equations within the finite rank approximation in order to calculate the t-matrices and hence the time delay for theη-³He andη-⁴He systems. We find a resonance very close to the threshold inη-³He elastic scattering, at about 0.5 MeV above threshold with a width of ∼2 MeV. The calculations also hint at the presence of sub-threshold states in both the cases     

Quantum mechanics in theK-field formalism: The kepler problem (without spin)

The primary goal of this work is to use a very well-known problem (the Kepler problem) to demonstrate the procedure for the construction in theK-field formalism of the nonrelativistic approximation of the quantum mechanical model of the stationary states of the hydrogen atom neglecting the spin properties of the electron. It is shown that the standard stationary states of the hydrogen atom correspond to Lyapunov-stable trajectories of theK particle (point test particle, the classical model of the electron in the atom). In spite of the electron being considered initially as a point particle without angular momentum, the internal logic of quantum mechanics in theK-field formalism requires the existence of the spin characteristics for the quantum mechanical model of the electron in the Kepler problem, even in the nonrelativistic approximation. Tomsk Polytechnic Institute. Translated fromIzvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 7, pp. 59–64, July, 1998.     

Statistics of two-dimensional point vortices and high-energy vortex states

Results from the theory ofU-statistics are used to characterize the microcanonical partition function of theN-vortex system in a rectangular region for largeN, under various boundary conditions, and for neutral, asymptotically neutral, and nonneutral systems. Numerical estimates show that the limiting distribution is well matched in the region of major probability forN larger than 20. Implications for the thermodynamic limit are discussed. Vortex clustering is quantitatively studied via the average interaction energy between negative and positive vortices. Vortex states for which clustering is generic (in a statistical sense) are shown to result from two modeling processes: the approximation of a continuous inviscid fluid by point vortex configurations; and the modeling of the evolution of a continuous fluid at high Reynolds number by point vortex configurations, with the viscosity represented by the annihilation of close positive-negative vortex pairs. This last process, with the vortex dynamics replaced by a random walk, reproduces quite well the late-time features seen in spectral integration of the 2d Navier-Stokes equation.     

Order and disorder lines in systems with competing interactions. III. Exact results from stochastic crystal growth

The methods presented in the first two articles of this series are simplified and generalized by growing stationary stochastic crystals from a given Ansatz layer. On the disorder trajectory the free energy, correlation functions, and multicritical points are calculated explicitly for a large class of models with competing interactions, including the staggered eight-vertex model, the general sixteen-vertex model, theq-state Potts model on a triangular lattice, a generalZ(q) model, and restricted spin glass models in two dimensions.