Theoretical study of the temperature dependences of electronic magnetic susceptibilities for liquid lithium and sodium

1991 ◽  
Vol 3 (13) ◽  
pp. 2175-2185 ◽  
Author(s):  
N H Lu ◽  
S K Lai
Keyword(s):  
Theoretical Study ◽  
Liquid Lithium ◽  
Magnetic Susceptibilities ◽  
Temperature Dependences

Theoretical study of magnetic susceptibilities of small molecules by SCF-LCAO-MO-MINDO/3 method

1980 ◽  
Vol 58 (8) ◽  
pp. 767-771
Author(s):  
Prabhat K. K. Pandey ◽  
P. Chandra
Keyword(s):  
Magnetic Susceptibility ◽  
Small Molecules ◽  
Theoretical Study ◽  
Gauge Invariant ◽  
Magnetic Susceptibilities ◽  
Atomic Orbitals ◽  
Paramagnetic Contribution ◽  
Indo Calculations ◽  
Diamagnetic Contribution ◽  
Lcao Mo

Magnetic susceptibilities of small hydrocarbons and water are calculated by employing gauge-invariant atomic orbitals within MINDO/3 approximation. A comparison with available INDO calculations indicates that MINDO/3 gives reasonable values for diamagnetic contribution, but in general overestimates the paramagnetic contribution to magnetic susceptibility.

MAGNETIC SUSCEPTIBILITY OF THE RELATIVISTIC BOSON GAS

2001 ◽  
Vol 15 (25) ◽  
pp. 1147-1154 ◽  
Author(s):  
LAUREAN HOMORODEAN
Keyword(s):  
Magnetic Susceptibility ◽  
Relativistic Electron ◽  
Electron Gas ◽  
Einstein Condensation ◽  
Condensation Temperature ◽  
Magnetic Susceptibilities ◽  
Bose Einstein Condensation ◽  
Ideal Gases ◽  
Temperature Dependences ◽  
Bose Einstein

We present the temperature dependences of the magnetic susceptibilities for degenerate (below the Bose–Einstein-condensation temperature) and nondegenerate ideal gases of relativistic charged spinless bosons. The nonrelativistic limits of these laws are also discussed. A comparison with the relativistic electron gas is made.

On the photoconductivity of hot electrons in semiconductors at low temperatures

1983 ◽  
Vol 61 (6) ◽  
pp. 821-824
Author(s):  
E. F. El-Wahidy
Keyword(s):  
Low Temperatures ◽  
Theoretical Study ◽  
Zero Point ◽  
Potential Scattering ◽  
Hot Electrons ◽  
Average Lifetime ◽  
Deformation Potential ◽  
Acoustic Phonons ◽  
Temperature Dependences ◽  
Point Lattice

A theoretical study is made of the photoconductivity of hot photoelectrons interacting with acoustic phonons in n-type germanium at low temperature, T = 4 K, when the equipartition of the energy of phonons is not obeyed. Assuming that the energy relaxation of photoelectrons takes place by the spontaneous emission of acoustic phonons, the energy distribution of photoelectrons is obtained using the deformation potential scattering by acoustic phonons for the zero point lattice. The distribution function is then used in calculating the photoconductivity and average lifetime of photoelectrons. New temperature dependences of the photoconductivity and average lifetime arc obtained. It is shown that the new results differ from those reported when equipartition is obeyed.

Theoretical Study of the vdW Complex Cd···N2

2008 ◽  
Vol 73 (10) ◽  
pp. 1357-1371 ◽  
Author(s):  
Michal Ilčin ◽  
Vladimír Lukeš ◽  
Viliam Laurinc ◽  
Stanislav Biskupič
Keyword(s):  
Ground State ◽  
Energy Surface ◽  
Theoretical Study ◽  
Van Der Waals ◽  
Nitrogen Molecule ◽  
Temperature Dependences ◽  
Bond Functions ◽  
Well Depth ◽  
Coefficient Of Diffusion ◽  
Electronic Ground

The supermolecular CCSD(T) ab initio calculations of potential energy surface for the electronic ground state of van der Waals complex formed from a cadmium atom and a nitrogen molecule are presented. Our calculations indicate the bent orientation (Jacobi coordinates are rN-N = 1.10 Å, R = 4.53 Å, angle θ = 62°) of the van der Waals (vdW) system with a well depth of De = 73.3 cm-1. This well depth was shifted to the value of 76.7 cm-1 by systematical extension of mid-bond functions. The temperature dependences of the theoretical coefficient of diffusion were evaluated from the molecular dynamics and the Enskog-Chapman theory. The theoretical values at 273 K are compared with the available experimental data.

Study of the Temperature Dependences of Magnetic Susceptibilities and7Li NMR Spectra of Ferriferrous Micas

1982 ◽  
Vol 73 (1) ◽  
pp. K79-K82 ◽  
Author(s):  
A. S. Litovchenko ◽  
A. V. Brodovoi ◽  
A. A. Melnikov
Keyword(s):  
Nmr Spectra ◽  
Magnetic Susceptibilities ◽  
Temperature Dependences

scholarly journals External double reference method to study concentration and temperature dependences of chemical shifts determined on a unified scale

2004 ◽  
Vol 76 (1) ◽  
pp. 105-114 ◽  
Author(s):  
K. Mizuno ◽  
Y. Tamiya ◽  
Mamoru Mekata
Keyword(s):  
Chemical Shifts ◽  
Reference Method ◽  
Reference Substance ◽  
Magnetic Susceptibilities ◽  
External Reference ◽  
Temperature Dependences ◽  
Different Temperatures

We present the principle of an external reference method of NMR, named the external double reference method, to study concentration and temperature dependences of chemical shifts. By the method, we refer chemical shifts of various samples at different temperatures to the peak of a reference substance at a fixed referring temperature. Thus, we can determine the chemical shifts in a variety of sample conditions on a unified scale. Results of the application of the method to 1H- and 13C-chemical shifts of water and methanol are presented. We also report new data of volume magnetic susceptibilities for several deuterated solvents useful for the calibration in the method.

THEORETICAL STUDY OF THE MAGNETIC EXCITATIONS IN COMPOUND Pr2BaNiO5

2002 ◽  
Vol 16 (26) ◽  
pp. 991-998
Author(s):  
YUN SONG ◽  
HUAMING TANG
Keyword(s):  
Theoretical Study ◽  
Mean Field Theory ◽  
Mean Field ◽  
Three Dimensional ◽  
Interesting Property ◽  
Theoretical Explanation ◽  
Mixed Spin ◽  
Haldane Gap ◽  
Temperature Dependences ◽  
Good Agreement

A three-dimensional mixed-spin antiferromagnetic Heisenberg model is introduced to describe the interesting property of the coexistence of Haldane gap and antiferromagnetic long-range order in compound Pr 2 BaNiO 5. Within the Schwinger-boson mean-field theory, we investigate the temperature dependences of the Haldane gap and ordered parameters both below and above the Néel temperatures, and establish a theoretical explanation for the increase of the Haldane gap below the Néel temperature. Our results are in good agreement with neutron scattering experiments.

Magnetic susceptibility of actinide(iii) cations: an experimental and theoretical study

2016 ◽  
Vol 18 (9) ◽  
pp. 6515-6525 ◽  
Author(s):  
Matthieu Autillo ◽  
Laetitia Guerin ◽  
Hélène Bolvin ◽  
Philippe Moisy ◽  
Claude Berthon
Keyword(s):  
Magnetic Susceptibility ◽  
Quantum Chemistry ◽  
Theoretical Study ◽  
Tritiated Water ◽  
Radioactive Decay ◽  
Uranium Isotopes ◽  
Magnetic Susceptibilities ◽  
Quantum Chemistry Calculations

Radioactive decay on magnetic susceptibility measurements by the Evans's method has been characterized on two uranium isotopes and on tritiated water. Quantum chemistry calculations have been performed to explain Pu(iii), Am(iii) and Cm(iii) magnetic susceptibilities corrected from the radioactivity effects.

A theoretical study of the static structure and thermodynamics of liquid lithium

1993 ◽  
Vol 5 (26) ◽  
pp. 4283-4298 ◽  
Author(s):  
L E Gonzalez ◽  
D J Gonzalez ◽  
M Silbert ◽  
J A Alonso
Keyword(s):  
Theoretical Study ◽  
Liquid Lithium ◽  
Static Structure
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