Dipole polarizabilities of Na and long-range coefficients for various molecular states of Na[sub 2]

Merawa, Mohammadou; Rerat, Michel
March 1997
Journal of Chemical Physics;3/1/1997, Vol. 106 Issue 9, p3658
Academic Journal
Discusses the calculation of dynamic polarizabilities for two sodium (Na) atoms when they are in various states. Use of a time-dependent gauge-invariant (TDGI) method; Deduction of Coulombic long-range interactions; Comparison with previous calculated and experimental results.


Related Articles

  • Realistic representation of the induced electric dipole moment of a polarizable ligand: The... Field, Robert W.; Gittins, Christopher M. // Journal of Chemical Physics;6/22/1997, Vol. 106 Issue 24, p10379 

    Presents a modification of the Rittner polarization model to enhance its representation of the dipole moment of a negative ion induced by the electric field of its counterion. Description of the internuclear separation dependence of the induced dipole moment by modeling the mixing of free ion...

  • Ammonia alane. Marsh, Craig M. B.; Hamilton, Tracy P.; Xie, Yaoming; Schaefer, Henry F. // Journal of Chemical Physics;4/1/1992, Vol. 96 Issue 7, p5310 

    Ab initio studies employing basis sets approaching triple-ζ plus double-polarization plus f function quality are reported for AlH3NH3, AlH3, and NH3. The self-consistent-field method was employed for all basis sets; the single and double excitation configuration interaction and the comparable...

  • An ab initio study of the vibrational frequencies and infrared intensities of CH2F2. Fox, Gary L.; Schlegel, H. Bernhard // Journal of Chemical Physics;4/1/1990, Vol. 92 Issue 7, p4351 

    The infrared vibrational frequencies and intensities were calculated for methylene fluoride using ab initio molecular orbital theory. Calculations were carried out using several split valance basis sets (3-21G, 4-31G, 6-31G, 6-311G) augmented with diffuse functions and several sets of...

  • Theoretical study of the dipole moment function of OH(X 2Π). Langhoff, Stephen R.; Bauschlicher, Charles W.; Taylor, Peter R. // Journal of Chemical Physics;11/15/1989, Vol. 91 Issue 10, p5953 

    We present a theoretical study of the sensitivity of the dipole moment function (DMF) of the X 2Π ground state of OH to basis set saturation and to refinements in the correlation treatment. Emphasis is placed on determining the slope of the DMF at re and the r value at which the maximum...

  • Mutual polarization of monomer charge distribution in (HCN)2, (HCN)3, and (HCN)∞. Ruoff, R. S. // Journal of Chemical Physics;2/15/1991, Vol. 94 Issue 4, p2717 

    A simple classical mutual polarization model accurately predicts the induced dipole moments of linear HCN dimer and trimer. The model employs the first four nonzero electrical molecular moments of each HCN, and both the molecular polarizability and the C–H and C–N bond dipole...

  • Diffraction-derived spontaneous polarization in lithium sulfate monohydrate at 80 and 298 K. Karppinen, M.; Liminga, R.; Kvick, Å.; Abrahams, S. C. // Journal of Chemical Physics;1/1/1988, Vol. 88 Issue 1, p351 

    The principal axes of the sulfate ion minimum-equipotential contact surface with respect to its charge center, and the charge and electric dipole moment distribution in the sulfate ion and in the water molecule, are derived for Li2SO4·H2O on the basis of previously determined net atomic...

  • Second-harmonic generation from chiral surfaces. Kauranen, Martti; Verbiest, Thierry; Maki, Jeffery J.; Persoons, André // Journal of Chemical Physics;11/1/1994, Vol. 101 Issue 9, p8193 

    We present a theory of second-harmonic generation from chiral surfaces including contributions of electric and magnetic dipole transitions to the surface nonlinearity. The nonlinear polarization and magnetization of the surface as well as the second-harmonic fields that are radiated in the...

  • Semiclassical Green function calculation of four wave mixing in polarizable clusters and liquids. Leegwater, Jan A.; Mukamel, Shaul // Journal of Chemical Physics;11/1/1994, Vol. 101 Issue 9, p7388 

    A theory for the nonlinear optical response of an assembly of four level atoms representing an s–p transition, with dipole–dipole interactions is developed. Simulation results for two-pulse ultrafast four wave mixing measurements in atomic clusters and in liquids demonstrate that...

  • Pyroelectrical investigation of the dipole orientation in nonlinear optical polymers during and after photoinduced poling. Bauer-Gogonea, S.; Bauer, S.; Wirges, W.; Gerhard-Multhaupt, R. // Journal of Applied Physics;9/1/1994, Vol. 76 Issue 5, p2627 

    Focuses on a study which conducted a pyroelectrical investigation of the dipole orientation in nonlinear optical polymers during and after photoinduced poling. Experimental procedures; Description of the room-temperature decay of the dipole orientation after photoinduced poling; Discussion of...


Read the Article


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

Try another library?
Sign out of this library

Other Topics