On the thermal ionization of trapped electrons in ionic solids

1955 ◽  
Vol 231 (1186) ◽  
pp. 308-320 ◽  
Keyword(s):  
Ground State ◽  
High Frequency ◽  
Ionic Crystal ◽  
Dielectric Constants ◽  
Variation Method ◽  
Lattice Vibrations ◽  
Appreciable Difference ◽  
Ionic Solids ◽  
Self Consistent ◽  
Consistent Method

The ground state of an electron trapped at a defect of the interstitial ion type in an ionic crystal is determined by a variation method in which the interaction between electron and lattice vibrations is treated on a dynamic basis. The results are com pared with static calculations using a self-consistent method, and it is shown that for certain ranges of the low- and high-frequency dielectric constants an appreciable difference in energy may occur.

The thermal decomposition of ammonium perchlorate II. The kinetics of the decomposition, the effect of particle size, and discussion of results

1955 ◽  
Vol 227 (1169) ◽  
pp. 214-228 ◽  
Keyword(s):  
Thermal Decomposition ◽  
The Self ◽  
Lattice Vibrations ◽  
Coupling Constant ◽  
One Dimensional ◽  
Self Consistent ◽  
Second Order Transition ◽  
Consistent Method ◽  
Effect Of Particle Size ◽  
Kinetics Of

Fröhlich has shown that a one-dimensional metal, at absolute zero, can exhibit certain of the properties of a superconductor when the interaction between the lattice vibrations and the electrons is sufficiently strong. The self-consistent method used by him is extended to finite temperatures, and the specific heat is calculated. It is shown that the model exhibits a second-order transition at a temperature which is related to the magnitude of the coupling constant. The approximations demand a coupling constant which is much larger than that of any real metal.

scholarly journals Towards B-Spline Atomic Structure Calculations

Atoms ◽  
2021 ◽  
Vol 9 (3) ◽  
pp. 50
Author(s):  
Charlotte Froese Fischer
Keyword(s):  
Atomic Structure ◽  
Bound States ◽  
Virial Theorem ◽  
B Spline ◽  
B Splines ◽  
Self Consistent ◽  
History Of ◽  
Consistent Method ◽  
Atomic Structure Calculations ◽  
Structure Calculations

The paper reviews the history of B-spline methods for atomic structure calculations for bound states. It highlights various aspects of the variational method, particularly with regard to the orthogonality requirements, the iterative self-consistent method, the eigenvalue problem, and the related sphf, dbsr-hf, and spmchf programs. B-splines facilitate the mapping of solutions from one grid to another. The following paper describes a two-stage approach where the goal of the first stage is to determine parameters of the problem, such as the range and approximate values of the orbitals, after which the level of accuracy is raised. Once convergence has been achieved the Virial Theorem, which is evaluated as a check for accuracy. For exact solutions, the V/T ratio for a non-relativistic calculation is −2.

Correlation in the Ground State of He Atom

1981 ◽  
Vol 36 (3) ◽  
pp. 272-275 ◽  
Author(s):  
Subal Chandra Saha ◽  
Sankar Sengupta
Keyword(s):  
Ground State ◽  
Zero Order ◽  
Consistent Variation ◽  
Hartree Fock ◽  
Perturbation Procedure ◽  
Self Consistent ◽  
He Atom ◽  
Atomic Parameters

It is possible to reproduce the entire results of Pekeris et al. of different atomic parameters for the He atom by introducing (ll) type correlation in a self consistent variation perturbation procedure using the Hartree-Fock (HF) wavefunction as the zero-order wavefunction

High-frequency and below bandgap anisotropic dielectric constants in α-(AlxGa1−x)2O3 ( 0≤x≤1)

2021 ◽  
Vol 119 (9) ◽  
pp. 092103
Author(s):  
Matthew Hilfiker ◽  
Ufuk Kilic ◽  
Megan Stokey ◽  
Riena Jinno ◽  
Yongjin Cho ◽  
...  
Keyword(s):  
High Frequency ◽  
Dielectric Constants ◽  
Anisotropic Dielectric

Rotational Analysis of the lΠ–XlΣ+ System of C80Se

1974 ◽  
Vol 52 (9) ◽  
pp. 813-820 ◽  
Author(s):  
René Stringat ◽  
Jean-Paul Bacci ◽  
Marie-Hélène Pischedda
Keyword(s):  
Emission Spectrum ◽  
Ground State ◽  
High Frequency ◽  
Rotational Analysis ◽  
Molecular Constants ◽  
High Frequency Discharge ◽  
Perturbed State ◽  
Simple Evaluation ◽  
Π State

The strongly perturbed 1Π–X1Σ+ system of C80Se has been observed in the emission spectrum of a high frequency discharge through selenium and carbon traces in a neon atmosphere. The analysis of five bands yields, for the molecular constants of the ground state, the values Be″ = 0.5750 cm−1, [Formula: see text], αe″ = 0.00379 cm−1, re″ = 1.676 Å, ΔG″(1/2) = 1025.64 cm−1, and ΔG″(3/2) = 1015.92 cm−1. The numerous perturbations in the 1Π state prohibit the simple evaluation of the constants of the perturbed state and of the perturbing ones.

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