Polarizability and hyperpolarizability of Li+ calculated from the DC-Stark shift

2008 ◽  
Vol 86 (2) ◽  
pp. 409-412
Author(s):  
S I Themelis
Keyword(s):  
Excellent Agreement ◽  
Matrix Equation ◽  
Theoretical Calculations ◽  
Stark Shift ◽  
Function Spaces ◽  
Lithium Cation ◽  
Complex Eigenvalue ◽  
Nonperturbative Method

We show how energy shifts induced by DC fields can be used to obtain the polarizability α and the hyperpolarizability γ of the Lithium cation efficiently. We employ a nonperturbative method to solve a complex eigenvalue matrix equation constructed in terms of two separately optimized function spaces, Q and P. The values obtained for α and γ are in excellent agreement with other elaborate theoretical calculations. PACS Nos.: 02.70.–c, 32.10.Dk, 32.60.+i, 42.65.An

An Investigation of Long-range Proton–Proton Coupling Constants in Phenylacetylene Derivatives

1972 ◽  
Vol 50 (13) ◽  
pp. 2035-2040 ◽  
Author(s):  
C. J. MacDonald ◽  
G. K. Hamer ◽  
I. R. Peat ◽  
W. F. Reynolds
Keyword(s):  
Hyperfine Interaction ◽  
Long Range ◽  
Excellent Agreement ◽  
Quantitative Estimation ◽  
Theoretical Calculations ◽  
Experimental Results ◽  
Coupling Constants ◽  
Proton Proton ◽  
Proton Coupling

Signs and magnitudes of long-range coupling constants in three phenylacetylene derivatives have been determined. Values of the coupling constants are discussed in terms of the McConnell formulation and compared with results of MO–INDO–FPT calculations. Coupling constants are dominated by π contributions. Estimated values of hyperfine interaction constants for acetylene and methylacetylene groups are respectively QCC≡CH = −12 and QCC≡CCH = +12 G. The theoretical calculations are in excellent agreement with experimental results. Both approaches allow quantitative estimation of nine bond couplings in 4-vinylphenylacetylene.

scholarly journals Standard Behaviour of Bi2Sr2CaCu2O8+δ Overdoped

2021 ◽  
Vol 6 (2) ◽  
pp. 13
Author(s):  
Giovanni Alberto Ummarino
Keyword(s):  
Experimental Data ◽  
Critical Temperature ◽  
Excellent Agreement ◽  
Free Parameter ◽  
Theoretical Calculations ◽  
Spin Fluctuations ◽  
Superconducting Gap ◽  
Eliashberg Theory ◽  
Antiferromagnetic Spin ◽  
D Wave

I calculated the critical temperature and superconducting gap in the framework of one band d wave Eliashberg theory with only one free parameter in order to reproduce the experimental data relative to Bi2Sr2CaCu2O8+δ(BSCCO) in the overdoped regime. The theoretical calculations are in excellent agreement with the experimental data and indicate that cuprates in the overdoped regime are well described by standard d-wave Eliashberg theory with coupling provided by antiferromagnetic spin fluctuations.

The Novel Ladder Superconductors: A Brief Review

1998 ◽  
Vol 12 (29n31) ◽  
pp. 2898-2900
Author(s):  
Elbio Dagotto
Keyword(s):  
High Pressure ◽  
Copper Oxide ◽  
Excellent Agreement ◽  
Present Status ◽  
Theoretical Calculations ◽  
Hole Doping ◽  
The Novel ◽  
Dominant Component

The present status of the study of "ladder" materials is briefly reviewed. One of these materials becomes superconducting upon hole doping and at high pressure. It contains copper-oxide ladders as the dominant component in its structure, with a weak frustrating interladder coupling. Several experimental features of the ladder compounds are in excellent agreement with theoretical calculations. In addition, these intrinsically interesting and challenging systems provide us with useful information for the analysis of the physics of the high-T c cuprates.

XUV Absorption Spectra of Carbon Ions

1988 ◽  
Vol 102 ◽  
pp. 71-73
Author(s):  
E. Jannitti ◽  
P. Nicolosi ◽  
G. Tondello
Keyword(s):  
Absorption Spectra ◽  
Cross Section ◽  
Theoretical Calculations ◽  
Photoionization Cross Section ◽  
Carbon Ions

AbstractThe photoabsorption spectra of the carbon ions have been obtained by using two laser-produced plasmas. The photoionization cross-section of the CV has been absolutely measured and the value at threshold, σ=(4.7±0.5) × 10−19cm2, as well as its behaviour at higher energies agrees quite well with the theoretical calculations.

Relative Intensities in ED Patterns From Thin Gold Films

1972 ◽  
Vol 30 ◽  
pp. 636-637
Author(s):  
R. H. Morriss ◽  
J. D. C. Peng ◽  
C. D. Melvin
Keyword(s):  
Theoretical Calculations ◽  
Diffraction Theory ◽  
Gold Films ◽  
Reasonable Accuracy ◽  
Experimental Conditions ◽  
Crystal Perfection ◽  
Heavy Atoms ◽  
Fine Focus ◽  
Convergent Beam ◽  
Beam Diffraction

Although dynamical diffraction theory was modified for electrons by Bethe in 1928, relatively few calculations have been carried out because of computational difficulties. Even fewer attempts have been made to correlate experimental data with theoretical calculations. The experimental conditions are indeed stringent - not only is a knowledge of crystal perfection, morphology, and orientation necessary, but other factors such as specimen contamination are important and must be carefully controlled. The experimental method of fine-focus convergent-beam electron diffraction has been successfully applied by Goodman and Lehmpfuhl to single crystals of MgO containing light atoms and more recently by Lynch to single crystalline (111) gold films which contain heavy atoms. In both experiments intensity distributions were calculated using the multislice method of n-beam diffraction theory. In order to obtain reasonable accuracy Lynch found it necessary to include 139 beams in the calculations for gold with all but 43 corresponding to beams out of the [111] zone.

Effects of Higher-Order Laue Zone reflections on structure images

1993 ◽  
Vol 51 ◽  
pp. 450-451
Author(s):  
H. S. Kim ◽  
S. S. Sheinin
Keyword(s):  
Wave Vector ◽  
Theoretical Calculations ◽  
Reciprocal Lattice ◽  
Image Plane ◽  
Bloch Wave ◽  
Dynamical Theory ◽  
Higher Order ◽  
Lattice Image ◽  
Lattice Vector ◽  
Image Position

The importance of image simulation in interpreting experimental lattice images is well established. Normally, in carrying out the required theoretical calculations, only zero order Laue zone reflections are taken into account. In this paper we assess the conditions for which this procedure is valid and indicate circumstances in which higher order Laue zone reflections may be important. Our work is based on an analysis of the requirements for obtaining structure images i.e. images directly related to the projected potential. In the considerations to follow, the Bloch wave formulation of the dynamical theory has been used.The intensity in a lattice image can be obtained from the total wave function at the image plane is given by: where ϕg(z) is the diffracted beam amplitide given by In these equations,the z direction is perpendicular to the entrance surface, g is a reciprocal lattice vector, the Cg(i) are Fourier coefficients in the expression for a Bloch wave, b(i), X(i) is the Bloch wave excitation coefficient, ϒ(i)=k(i)-K, k(i) is a Bloch wave vector, K is the electron wave vector after correction for the mean inner potential of the crystal, T(q) and D(q) are the transfer function and damping function respectively, q is a scattering vector and the summation is over i=l,N where N is the number of beams taken into account.

STARK SHIFT AND BROADENING OF ATOMIC LINES AS OBSERVED ON OPTOGALVANIC SPECTRA OF NOBLE GASES

1983 ◽  
Vol 44 (C7) ◽  
pp. C7-497-C7-504 ◽  
Author(s):  
T. Nakajima ◽  
N. Uchitomi ◽  
Y. Adachi ◽  
S. Maeda ◽  
C. Hirose
Keyword(s):  
Noble Gases ◽  
Stark Shift ◽  
Atomic Lines

A Comparison of the Bethesda and New Oxford Methods of Factor VIII Antibody Assay

1982 ◽  
Vol 47 (01) ◽  
pp. 072-075 ◽  
Author(s):  
D E G Austen ◽  
K Lechner ◽  
C R Rizza ◽  
I L Rhymes
Keyword(s):  
Factor Viii ◽  
Excellent Agreement ◽  
International Committee ◽  
The Other ◽  
Antibody Assay ◽  
Collaborative Trial

SummaryA collaborative trial has been carried out under the auspices of the International Committee on Thrombosis and Haemostasis to compare the Bethesda and New Oxford methods of antibody assay. It was found that errors between laboratories were much greater than those within laboratories and each laboratory had a bias whereby it always rated samples high or low with respect to the other laboratories. However there was excellent agreement in the order in which laboratories ranked antibody samples and if a standard antibody sample could be provided there would be a significant improvement in numerical agreement between laboratories. On average, for this exercise, a result for a given sample in Bethesda units was 1.21 times the result in New Oxford units although it must be stressed that this ratio could vary from sample to sample.

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