arXiv subjects

G. F. Bertsch

Publications and source records attributed to G. F. Bertsch.

At least 109 records · Page 6Linked to original sources

arXiv2003

Variational RPA for the Mie resonance in jellium

The surface plasmon in simple metal clusters is red-shifted from the Mie frequency, the energy shift being significantly larger than the usual spill-out correction. Here we develop a variational approach to the RPA collective excitations. Using a simple trial form, we obtain analytic expressions for the energy shift beyond the spill-out contribution. We find that the additional red shift is proportional to the spill-out correction and can have the same order of magnitude.

physics.atm-clus↗

arXiv2003

Generator Coordinate Truncations

We investigate the accuracy of several schemes to calculate ground-state correlation energies using the generator coordinate technique. Our test-bed for the study is the $sd$ interacting boson model, equivalent to a 6-level Lipkin-type model. We find that the simplified projection of a triaxial generator coordinate state using the $S_3$ subgroup of the rotation group is not very accurate in the parameter space of the Hamiltonian of interest. On the other hand, a full rotational projection of an axial generator coordinate state gives remarkable accuracy. We also discuss the validity of the simplified treatment using the extended Gaussian overlap approximation (top-GOA), and show that it works reasonably well when the number of boson is four or larger.

nucl-th↗

arXiv2003

Nuclear level statistics: extending the shell model theory to higher temperatures

The Shell Model Monte Carlo (SMMC) approach has been applied to calculate level densities and partition functions to temperatures up to ~ 1.5 - 2 MeV, with the maximal temperature limited by the size of the configuration space. Here we develop an extension of the theory that can be used to higher temperatures, taking into account the large configuration space that is needed. We first examine the configuration space limitation using an independent-particle model that includes both bound states and the continuum. The larger configuration space is then combined with the SMMC under the assumption that the effects on the partition function are factorizable. The method is demonstrated for nuclei in the iron region, extending the calculated partition functions and level densities up to T ~ 4 MeV. We find that the back-shifted Bethe formula has a much larger range of validity than was suspected from previous theory. The present theory also shows more clearly the effects of the pairing phase transition on the heat capacity.

nucl-th↗

arXiv2002

Projection and ground state correlations made simple

We develop and test efficient approximations to estimate ground state correlations associated with low- and zero-energy modes. The scheme is an extension of the generator-coordinate-method (GCM) within Gaussian overlap approximation (GOA). We show that GOA fails in non-Cartesian topologies and present a topologically correct generalization of GOA (topGOA). An RPA-like correction is derived as the small amplitude limit of topGOA, called topRPA. Using exactly solvable models, the topGOA and topRPA schemes are compared with conventional approaches (GCM-GOA, RPA, Lipkin-Nogami projection) for rotational-vibrational motion and for particle number projection. The results shows that the new schemes perform very well in all regimes of coupling.

nucl-th↗

arXiv2000

Comparison of Transfer-to-Continuum and Eikonal Models of Projectile Fragmentation Reactions

Spectroscopic properties of nuclei are accessible with projectile fragmentation reactions, but approximations made in the reaction theory can limit the accuracy of the determinations. We examine here two models that have rather different approximations for the nucleon wave function, the target interaction, and the treatment of the finite duration of the reaction. The nucleon-target interaction is treated differently in the eikonal and the transfer-to-continuum model, but the differences are more significant for light targets. We propose a new parameterization with that in mind. We also propose a new formula to calculate the amplitude that combines the better treatment of the wave function in the eikonal model with the better treatment of the target interaction in the transfer-to-continuum model.

nucl-th↗

arXiv2000

Application of time-dependent density functional theory to electron-vibration coupling in benzene

Optical properties of symmetry-forbidden pi-pi transitions in benzene are calculated with the time-dependent density functional theory (TDDFT), using an adiabatic LDA functional. Quantities calculated are the envelopes of the Franck-Condon factors of the vibrationally promoted transitions and the associated oscillator strengths. The strengths, which span three orders of magnitude, are reproduced to better than a factor of two by the theory. Comparable agreement is found for the Franck-Condon widths. We conclude that rather detailed information can be obtained with the TDDFT and it may be worthwhile to explore other density functionals.

physics.chem-ph↗

arXiv2000

Correlation energy of the pairing Hamiltonian

We study the correlation energy associated with the pair fluctuations in BCS theory. We use a schematic two-level pairing model and discuss the behavior of the correlation energy across shell closures, including the even-odd differences. It is shown that the random phase approximation (RPA) to the ground state energy reproduces the exact solutions quite well both in the normal fluid and in the superfluid phases. In marked contrast, other methods to improve the BCS energies such as Lipkin-Nogami method, only work when the strength of a pairing interaction is large. We thus conclude that the RPA approach is better for a systematic theory of nuclear binding energies.

nucl-th↗

arXiv2000

Mean field theory for global binding systematics

We review some possible improvements of mean field theory for application to nuclear binding systematics. Up to now, microscopic theory has been less successful than models starting from the liquid drop in describing accurately the global binding systematics. We believe that there are good prospects to develop a better global theory, using modern forms of energy density functionals and treating correlation energies systematically by the RPA.

nucl-th↗

arXiv2000

A real-space, rela-time method for the dielectric function

We present an algorithm to calculate the linear response of periodic systems in the time-dependent density functional thoery, using a real-space representation of the electron wave functions and calculating the dynamics in real time. The real-space formulation increases the efficiency for calculating the interaction, and the real-time treatment decreases storage requirements and the allows the entire frequency-dependent response to be calculated at once. We give as examples the dielectric functions of a simple metal, lithium, and an elemental insulator, diamond.

cond-mat↗

arXiv2000

Comparision of direct and Fourier space techniques in time-dependent density functional theory

Several techniques have appeared in the literatuare to solve the equations of time-dependent density functional theory. We compare the efficiency of different methods based on mesh representations of the wave function (direct and Fourier space), taking as a test case the calculation of the surface plasmon in the cluster Na_8. For smaller systems, the methods have comparable efficiency. For large systems the direct time method has a decided advantage in computer storage requirements. It is also more economical on arithmetic operations, but is not as suited for parallel computing as the methods based on a frequency representation.

physics.comp-ph↗

arXiv1999

Parity Dependence of Nuclear Level Densities

A simple formula for the ratio of the number of odd- and even-parity states as a function of temperature is derived. This formula is used to calculate the ratio of level densities of opposite parities as a function of excitation energy. We test the formula with quantum Monte Carlo shell model calculations in the $(pf+g_{9/2})$-shell. The formula describes well the transition from low excitation energies where a single parity dominates to high excitations where the two densities are equal.

nucl-th↗

arXiv1999

RPA approach to rotational symmetry restoration in a three-level Lipkin model

We study an extended Lipkin-Meshkov-Glick model that permits a transition to a deformed phase with a broken continuous symmetry. Unlike simpler models, one sees a persistent zero-frequency Goldstone mode past the transition point into the deformed phase. We found that the RPA formula for the correlation energy provides a useful correction to the Hartree-Fock energy when the number of particle N satisfies N > 3, and becomes accurate for large N. We conclude that the RPA correlation energy formula offers a promising way to improve the Hartree-Fock energy in a systematic theory of nuclear binding energies.

nucl-th↗

arXiv1999

Generalized seniority from random Hamiltonians

We investigate the generic pairing properties of shell-model many-body Hamiltonians drawn from ensembles of random two-body matrix elements. Many features of pairing that are commonly attributed to the interaction are in fact seen in a large part of the ensemble space. Not only do the spectra show evidence of pairing with favored J=0 ground states and an energy gap, but the relationship between ground state wave functions of neighboring nuclei show signatures of pairing as well. Matrix elements of pair creation/annihilation operators between ground states tend to be strongly enhanced. Furthermore, the same or similar pair operators connect several ground states along an isotopic chain. This algebraic structure is reminiscent of the generalized seniority model. Thus pairing may be encoded to a certain extent in the Fock space connectivity of the interacting shell model even without specific features of the interaction required.

nucl-th↗

arXiv1999

Anharmonic collective excitation in a solvable model

We apply the time-dependent variational principle, the nuclear field theory, and the boson expansion method to the Lipkin model to discuss anharmonicities of collective vibrational excitations. It is shown that all of these approaches lead to the same anharmonicity to leading order in the number of particles. Comparison with the exact solution of the Lipkin model shows that these theories reproduce it quite well.

nucl-th↗

arXiv1999

Optical response of small silver clusters

The time-dependent local density approximation is applied to the optical response of the silver clusters, Ag_2, Ag_3, Ag_8 and Ag_9^+. The calculation includes all the electrons beyond the closed-shell Ag^{+11} ionic core, thus including for the first time explicitly the filled d-shell in the response. The excitation energy of the strong surface plasmon near 4 eV agrees well with experiment. The theoretical transition strength is quenched by a factor of 4 with respect to the pure s-electron sum rule in Ag_8 due to the d-electrons. A comparable amount of strength lies in complex states below 6 eV excitation. The total below 6 eV, about 50% of the s sum rule, is consistent with published experiments.

physics.atm-clus↗

arXiv1999

Noncollinear magnetic ordering in small Chromium Clusters

We investigate noncollinear effects in antiferromagnetically coupled clusters using the general, rotationally invariant form of local spin-density theory. The coupling to the electronic degrees of freedom is treated with relativistic non-local pseudopotentials and the ionic structure is optimized by Monte-Carlo techniques. We find that small chromium clusters (N \le 13) strongly favor noncollinear configurations of their local magnetic moments due to frustration. This effect is associated with a significantly lower total magnetization of the noncollinear ground states, ameliorating the disagreement between Stern-Gerlach measurements and previous collinear calculations for Cr_{12} and Cr_{13}. Our results further suggest that the trend to noncollinear configurations might be a feature common to most antiferromagnetic clusters.

physics.atm-clus↗

arXiv1999

Cluster ionization via two-plasmon excitation

We calculate the two-photon ionization of clusters for photon energies near the surface plasmon resonance. The results are expressed in terms of the ionization rate of a double plasmon excitation, which is calculated perturbatively. For the conditions of the experiment by Schlipper et al., we find an ionization rate of the order of 0.05-0.10 fs^(-1). This rate is used to determine the ionization probability in an external field in terms of the number of photons absorbed and the duration of the field. The probability also depends on the damping rate of the surface plasmon. Agreement with experiment can only be achieved if the plasmon damping is considerably smaller than its observed width in the room-temperature single-photon absorption spectrum.

physics.atm-clus↗

arXiv1998

Application of time-dependent density functional theory to optical activity

As part of a general study of the time-dependent local density approximation (TDLDA), we here report calculations of optical activity of chiral molecules. The theory automatically satisfies sum rules and the Kramers-Kronig relation between circular dichroism and optical rotatory power. We find that the theory describes the measured circular dichroism of the lowest states in methyloxirane with an accuracy of about a factor of two. In the chiral fullerene C_76 the TDLDA provides a consistent description of the optical absorption spectrum, the circular dichroism spectrum, and the optical rotatory power, except for an overall shift of the theoretical spectrum.

physics.chem-ph↗