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James F. Babb

Publications and source records attributed to James F. Babb.

35 records · Page 2Linked to original sources
arXiv2016

Formation of silicon monoxide by radiative association: the impact of resonances

Detailed quantum chemistry calculations within the multireference configuration interaction approximation with the Davidson correction (MRCI+Q) are presented using an aug-cc-pV6Z basis set, for the potential energy curves and transition dipole moments between low lying molecular states of singlet spin symmetry for the SiO molecule. The high quality molecular data are used to obtain radiative association cross sections and rate coefficients for collisions between ground state Si and O atoms. Quantal calculations are compared with semiclassical results. Using a quantum kinetic theory of radiative association in which quasibound levels are assumed to be in local thermodynamic equilibrium, we find that resonances play an important role in enhancing the rate coefficients at low temperatures by several orders of magnitude from that predicted by standard quantum scattering formulations. These new molecular formation rates may have important implications for applications in astrophysics.

physics.atom-ph↗
arXiv2015

van der Waals and Casimir-Polder interactions between neutrons

We investigate the van der Waals interaction between neutrons using the theory of Casimir and Polder, wherein the potential for asymptotically large separations falls off as the inverse seventh power, and compare it to the similar interaction between a neutron and a proton, for which the asymptotic interaction falls off as the inverse fourth power. Modifications of the formalism to extend the validity to smaller separations using dynamic electric and magnetic dipole polarizability data are discussed

nucl-th↗
arXiv2015

Empirically constructed dynamic electric dipole polarizability function of magnesium and its applications

The dynamic electric dipole polarizability function for the magnesium atom is formed by assembling the atomic electric dipole oscillator strength distribution from combinations of theoretical and experimental data for resonance oscillator strengths and for photoionization cross sections of valence and inner shell electrons. Consistency with the oscillator strength (Thomas-Reiche-Kuhn) sum rule requires the adopted principal resonance line oscillator strength to be several percent lower than the values given in two critical tabulations, though the value adopted is consistent with a number of theoretical determinations. The static polarizability is evaluated. Comparing the resulting dynamic polarizability as a function of photon energy with more elaborate calculations reveals the contributions of inner shell electron excitations. The present results are applied to calculate the long-range interactions between two and three magnesium atoms and the interaction between a magnesium atom and a perfectly conducting metallic plate. Extensive comparisons of prior results for the principal resonance line oscillator strength, for the static polarizability, and for the van der Waals coefficient are given in an Appendix.

physics.atom-ph↗
arXiv2014

High-precision nonadiabatic calculations of dynamic polarizabilities and hyperpolarizabilities for the lowlying vibrational-rotational states of hydrogen molecular ions

The static and dynamic electric multipolar polarizabilities and second hyperpolarizabilities of the H$_2^+$, D$_2^+$, and HD$^+$ molecular ions in the ground and first excited states are calculated nonrelativistically using explicitly correlated Hylleraas basis sets. The calculations are fully nonadiabatic; the Born-Oppenheimer approximation is not used. Comparisons are made with published theoretical and experimental results, where available. In our approach, no derivatives of energy functions nor derivatives of response functions are needed. In particular, we make contact with earlier calculations in the Born-Oppenheimer calculation where polarizabilities were decomposed into electronic, vibrational, and rotational contributions and where hyperpolarizabilities were determined from derivatives of energy functions. We find that the static hyperpolarizability for the ground state of HD$^+$ is seven orders of magnitude larger than the corresponding dipole polarizability. For the dipole polarizability of HD$^+$ in the first excited-state the high precision of the present method facilitates treatment of a near cancellation between two terms. For applications to laser spectroscopy of trapped ions we find tune-out and magic wavelengths for the HD$^+$ ion in a laser field. In addition, we also calculate the first few leading terms for long-range interactions of a hydrogen molecular ion interacting with a ground-state H, He, and Li atoms.

physics.atom-ph↗
arXiv2012

The long-range non-additive three-body dispersion interactions for the rare gases, alkali and alkaline-earth atoms

The long-range non-additive three-body dispersion interaction coefficients $Z_{111}$, $Z_{112}$, $Z_{113}$, and $Z_{122}$ are computed for many atomic combinations using standard expressions. The atoms considered include hydrogen, the rare gases, the alkali atoms (up to Rb) and the alkaline-earth atoms (up to Sr). The term $Z_{111}$, arising from three mutual dipole interactions is known as the Axilrod-Teller-Muto coefficient or the DDD (dipole-dipole-dipole) coefficient. Similarly, the terms $Z_{112}$, $Z_{113}$, and $Z_{122}$ arise from the mutual combinations of dipole (1), quadrupole (2), and octupole (3) interactions between atoms and they are sometimes known, respectively, as DDQ, DDO, and DQQ coefficients. Results for the four $Z$ coefficients are given for the homonuclear trimers, for the trimers involving two like-rare-gas atoms, and for the trimers with all combinations of the H, He, Li atoms. An exhaustive compilation of all coefficients between all possible atomic combinations is presented as supplementary data.

physics.atom-ph↗
arXiv2010

Casimir effects in atomic, molecular, and optical physics

The long-range interaction between two atoms and the long-range interaction between an ion and an electron are compared at small and large intersystem separations. The vacuum dressed atom formalism is applied and found to provide a framework for interpretation of the similarities between the two cases. The van der Waals forces or Casimir-Polder potentials are used to obtain insight into relativistic and higher multipolar terms.

physics.atom-ph↗
arXiv2009

Calculations of polarizabilities and hyperpolarizabilities for the Be$^+$ ion

The polarizabilities and hyperpolarizabilities of the Be$^+$ ion in the $2^2S$ state and the $2^2P$ state are determined. Calculations are performed using two independent methods: i) variationally determined wave functions using Hylleraas basis set expansions and ii) single electron calculations utilizing a frozen-core Hamiltonian. The first few parameters in the long-range interaction potential between a Be$^+$ ion and a H, He, or Li atom, and the leading parameters of the effective potential for the high-$L$ Rydberg states of beryllium were also computed. All the values reported are the results of calculations close to convergence. Comparisons are made with published results where available.

physics.atom-ph↗
arXiv2009

Non-relativistic ab initio calculations for $2^2S$, $2^2P$ and $3^2D$ lithium isotopes: Applications to polarizabilities and dispersion interactions

The electric dipole polarizabilities and hyperpolarizabilities for the lithium isotopes $^6$Li and $^7$Li in the ground state $2^2S$ and the excited states $2^2P$ and $3^2D$, as well as the leading resonance and dispersion long-range coefficients for the Li($2^2S$)--Li($2^2S$) and Li($2^2S$)--Li($2^2P$) systems, are calculated nonrelativistically using variational wave functions in Hylleraas basis sets. Comparisons are made with published results, where available. We find that the value of the second hyperpolarizability of the $2^2S$ state is sensitive to the isotopic mass due to a near cancellation between two terms. For the $3^2D$ state polarizability tensor the calculated components disagree with those measured in the sole experiment and with those calculated semi-empirically.

physics.atom-ph↗
arXiv2009

Electric dipole polarizabilities at imaginary frequencies for the alkali-metal, alkaline-earth, and inert gas atoms

The electric dipole polarizabilities evaluated at imaginary frequencies for hydrogen, the alkali-metal atoms, the alkaline earth atoms, and the inert gases are tabulated along with the resulting values of the atomic static polarizabilities, the atom-surface interaction constants, and the dispersion (or van der Waals) constants for the homonuclear and the heteronuclear diatomic combinations of the atoms.

physics.atom-ph↗
arXiv2007

Absorption spectrum in the wings of the potassium second resonance doublet broadened by helium

We have measured the reduced absorption coefficients occurring in the wings of the potassium 4S-5P doublet lines at 404.414 nm and at 404.720 nm broadened by helium gas at pressures of several hundred Torr. At the experimental temperature of 900 K, we have detected a shoulder-like broadening feature on the blue wing of the doublet which is relatively flat between 401.8 nm and 402.8 nm and which drops off rapidly for shorter wavelengths, corresponding to absorption from the X doublet Sigma+ state to the C doublet Sigma+ state of the K-He quasimolecule. The accurate measurements of the line profiles in the present work will sharply constrain future calculations of potential energy surfaces and transition dipole moments correlating to the asymptotes He-K(5p), He-K(5s), and He-K(3d).

physics.atom-ph↗
arXiv2006

Theoretical Study of Sodium and Potassium Resonance Lines Pressure Broadened by Helium Atoms

We perform fully quantum mechanical calculations in the binary approximation of the emission and absorption profiles of the sodium $3s$-$3p$ and potassium $4s$-$4p$ resonance lines under the influence of a helium perturbing gas. We use carefully constructed potential energy surfaces and transition dipole moments to compute the emission and absorption coefficients at temperatures from 158 to 3000 K. Contributions from quasi-bound states are included. The resulting red and blue wing profiles agree well with previous theoretical calculations and with experimental measurements.

physics.atom-ph↗
arXiv2005

Long-range atom-surface interactions for cold atoms

Studies of the long-range interactions between cold atoms and surfaces are now of vital interest. The interest is partly driven by nanotechnology applications, partly by the exploding interest in the encompassing superfield of Casimir effects, and partly by the burgeoning overlap between atomic and molecular physics, condensed matter, and quantum optics. This tutorial lecture will address long-range atom-surface interactions for cold atoms, including an overview of Casimir-Polder interactions and their various manifestations. Some previous theoretical studies that are of particular relevance will be reviewed. In addition some different approaches to the problem and corresponding results, especially concerning the effects of substrate composition, geometry, and finite temperature, will be discussed.

physics.atom-ph↗
arXiv2005

Theoretical Study of Pressure Broadening of Lithium Resonance Lines by Helium Atoms

Quantum mechanical calculations are performed of the emission and absorption profiles of the lithium 2s-2p resonance line under the influence of a helium perturbing gas. We use carefully constructed potential energy surfaces and transition dipole moments to compute the emission and absorption coefficients at temperatures from 200 to 3000 K at wavelengths between 500 nm and 1000 nm. Contributions from quasi-bound states are included. The resulting red and blue wing profiles are compared with previous theoretical calculations and with an experiment, carried out at a temperature of 670 K.

physics.atom-ph↗
arXiv2000

Quantum Noise and Superluminal Propagation

Causal "superluminal" effects have recently been observed and discussed in various contexts. The question arises whether such effects could be observed with extremely weak pulses, and what would prevent the observation of an "optical tachyon." Aharonov, Reznik, and Stern (ARS) [Phys. Rev. Lett., vol. 81, 2190 (1998)] have argued that quantum noise will preclude the observation of a superluminal group velocity when the pulse consists of one or a few photons. In this paper we reconsider this question both in a general framework and in the specific example, suggested by Chiao, Kozhekin, and Kurizki [Phys. Rev. Lett., vol. 77, 1254 (1996)], of off-resonant, short-pulse propagation in an optical amplifier. We derive in the case of the amplifier a signal-to-noise ratio that is consistent with the general ARS conclusions when we impose their criteria for distinguishing between superluminal propagation and propagation at the speed c. However, results consistent with the semiclassical arguments of CKK are obtained if weaker criteria are imposed, in which case the signal can exceed the noise without being "exponentially large." We show that the quantum fluctuations of the field considered by ARS are closely related to superfluorescence noise. More generally we consider the implications of unitarity for superluminal propagation and quantum noise and study, in addition to the complete and truncated wavepackets considered by ARS, the residual wavepacket formed by their difference. This leads to the conclusion that the noise is mostly luminal and delayed with respect to the superluminal signal. In the limit of a very weak incident signal pulse, the superluminal signal will be dominated by the noise part, and the signal-to-noise ratio will therefore be very small.

quant-ph↗
arXiv1996

Variational calculations of dispersion coefficients for interactions between H, He, and Li atoms

The dispersion coefficients $C_6$, $C_8$, and $C_{10}$ for the interactions between H, He, and Li are calculated using variational wave functions in Hylleraas basis sets with multiple exponential scale factors. With these highly correlated wave functions, significant improvements are made upon previous calculations and our results provide definitive values for these coefficients.

atom-ph↗
arXiv1995

Nuclear spin--rotation interaction in the hydrogen molecular ion

The nuclear spin--rotation interaction in the hyperfine structure of the hydrogen molecular ion is investigated. The interaction constants are determined and are found to differ in sign and magnitude compared to another theory, but they are in agreement with some values derived from experiment.

atom-ph↗