Electron affinity of 7Li calculated with the inclusion of nuclear motion and relativistic corrections

Stanke, Monika; Kedziera, Dariusz; Bubin, Sergiy; Adamowicz, Ludwik
October 2007
Journal of Chemical Physics;10/7/2007, Vol. 127 Issue 13, p134107
Academic Journal
Explicitly correlated Gaussian functions have been used to perform very accurate variational calculations for the ground states of 7Li and 7Li-. The nuclear motion has been explicitly included in the calculations (i.e., they have been done without assuming the Born-Oppenheimer (BO) approximation). An approach based on the analytical energy gradient calculated with respect to the Gaussian exponential parameters was employed. This led to a noticeable improvement of the previously determined variational upper bound to the nonrelativistic energy of Li-. The Li energy obtained in the calculations matches those of the most accurate results obtained with Hylleraas functions. The finite-mass (non-BO) wave functions were used to calculate the α2 relativistic corrections (α=1/c). With those corrections and the α3 and α4 corrections taken from Pachucki and Komasa [J. Chem. Phys. 125, 204304 (2006)], the electron affinity (EA) of 7Li was determined. It agrees very well with the most recent experimental EA.


Related Articles

  • Relativistic Quantum Bit Commitment in Real-Time. Molotkov, S. N.; Nazin, S. S. // Journal of Experimental & Theoretical Physics;Apr2000, Vol. 90 Issue 4, p714 

    A relativistic quantum exchange protocol making it possible to implement a bit commitment scheme is realized. The protocol is based on the idea that in the relativistic case the propagation of a field into a region of space accessible for measurement requires, in contrast to the nonrelativistic...

  • Variational equilibrium of relativistic electron beams. Ganesh, R.; Avinash, K. // Physics of Plasmas;Nov94, Vol. 1 Issue 11, p3693 

    Presents a formulation of the problem of equilibrium of relativistic electron beams in terms of a variational principle. Determination of the equilibrium in terms of spatially averaged conditions at the cathode; Reduction of variational solution to Reiser-Diament solution for a shielded cathode.

  • Interaction of an intense relativistic electron beam with preformed channels. Murphy, D. P.; Raleigh, M.; Pechacek, R. E.; Greig, J. R. // Physics of Fluids (00319171);Jan87, Vol. 30 Issue 1, p232 

    The interaction of an intense relativistic electron beam (REB) with preformed channels in gaseous atmospheres has been analyzed in order to delineate the effects of reduced density, avalanche ionization, preexisting conductivity, and channel currents. The REB for these experiments was produced...

  • Relativistic Statistical Mechanics vs. Relativistic Thermodynamics. Gonzalo Ares de Parga; Benjamín López-Carrera // Entropy;Sep2011, Vol. 13 Issue 9, p1664 

    Based on a covariant theory of equilibrium Thermodynamics, a Statistical Relativistic Mechanics is developed for the non-interacting case. Relativistic Thermodynamics and Jüttner Relativistic Distribution Function in a moving frame are obtained by using this covariant theory. A proposal for a...

  • A local-Gaussian approximation for the propagation of a classical distribution function. Walkup, R. E. // Journal of Chemical Physics;11/1/1991, Vol. 95 Issue 9, p6440 

    A simple approximation method is described for the propagation of a classical Gaussian distribution function. This method is the classical analog of Heller’s well-known scheme for the propagation of Gaussian wave packets [E. J. Heller, J. Chem. Phys. 62, 1544 (1975)]. The classical...

  • Non-Gaussian Photon Probability Distribution. Solomon, Benjamin T. // AIP Conference Proceedings;1/28/2010, Vol. 1208 Issue 1, p261 

    This paper investigates the axiom that the photon’s probability distribution is a Gaussian distribution. The Airy disc empirical evidence shows that the best fit, if not exact, distribution is a modified Gamma mΓ distribution (whose parameters are α = r,...

  • On the influence of drag effect on acoustic modes in two-condensate relativistic superfluid systems. Vil'chinskii, S.I. // Low Temperature Physics;Jul99, Vol. 25 Issue 7, p483 

    Discusses the influence of drag effect on acoustic modes in two-condensate relativistic superfluid systems. Equations describing a relativistic quantum system in the state of local equilibrium below the critical point containing two superfluid components Variation of the second, third and...

  • Relativistic Quantum Protocols: Bit Commitment and Coin Tossing. Molotkov, S. N.; Nazin, S. S. // Journal of Experimental & Theoretical Physics;Oct2001, Vol. 93 Issue 4, p876 

    New relativistic quantum protocols realizing the bit commitment and coin tossing schemes are proposed. The protocols are based on the idea that spatially extended nonstationary orthogonal quantum states inaccessible for measurement cannot be unambiguously distinguished. As the states are...

  • A Simple Proof of Unconditional Security of Relativistic Quantum Cryptography. Molotkov, S. N.; Nazin, S. S. // Journal of Experimental & Theoretical Physics;May2001, Vol. 92 Issue 5, p871 

    A simple proof of the unconditional security of a relativistic quantum cryptosystem based on orthogonal states is given. Limitations imposed by the special relativity theory allow the proof to be markedly simplified as compared to the case of nonrelativistic cryptosystems based on nonorthogonal...


Read the Article


Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics