Alkali atoms confined to a sphere and to a fullerene cage

2005 ◽  
Vol 83 (9) ◽  
pp. 919-928 ◽  
Author(s):  
S H Patil ◽  
K D Sen ◽  
Y P Varshni
Keyword(s):  
Ground State ◽  
Model Potential ◽  
Alkali Atom ◽  
Dipole Polarizability ◽  
Fullerene Cage ◽  
Barrier Potential ◽  
Correct Model ◽  
Alkali Atoms ◽  
Infinite Barrier ◽  
03.65 Ge

A simple asymptotically correct model potential is considered for the valence electron in an alkali atom. Superposed with the confining infinite barrier potential, this potential yields the energies of various states and the dipole polarizability of the ground state of the confined alkali atom. Superposed with the fullerene shell potential, this potential yields the energies of the alkali atom inside a fullerene cage. Numerical results are presented for Li, Na, K, Rb, and Cs under such confinements. PACS Nos.: 03.65.Ge, 73.21.La, 78.67.Hc

On the nature of the ground state of Cr(V) defects in YVO4: An ab initio model potential embedded-cluster study

2002 ◽  
Vol 90 (2) ◽  
pp. 751-758 ◽  
Author(s):  
José Luis Pascual ◽  
Zoila Barandiarán ◽  
Luis Seijo
Keyword(s):  
Ab Initio ◽  
Ground State ◽  
Model Potential

Electronic structure of on- and off-center hydrogenic impurities in quantum dots and quantum nanowires: energies and dipole polarizability

2018 ◽  
Vol 96 (10) ◽  
pp. 1104-1115 ◽  
Author(s):  
R.L.M. Melono ◽  
D. Dobgima ◽  
O. Motapon
Keyword(s):  
Quantum Dots ◽  
Electric Dipole ◽  
Energy Levels ◽  
Model Potential ◽  
Binding Energies ◽  
Dipole Polarizability ◽  
Cavity Radius ◽  
Quantum Size ◽  
Dipole Polarizabilities

The energy levels, ground state binding energies, and electric dipole polarizabilities of hydrogenic impurities in quantum dots and quantum nanowires have been investigated using a non-relativistic B-spline based variational method. Firstly, we have worked on the characterization of those impurities (donor/electron) in quantum dots and quantum nanowires, considering the two cases where the impurity is centered or off-centered in the nanostructure. Secondly, the electric dipole polarizabilities have been computed and their sensitivity with confinement parameters investigated. So the energies, binding energies, and dipole polarizabilities were reported for the centered and the off-centered donor and electron impurities as a function of the cavity radius and the off-center displacement. We found that the polarization of the studied system greatly depends on the model potential form, the off-center displacement, and the cavity radius. In the case of quantum dots and for the parabolic potential, the convergence of the polarizability for large values of the quantum size is shown. For the quantum nanowire case, we have shown that the polarizability is greater in the case of the z axis displacement than that of the transversal one. This leads to the fact that the system is more polarizable when the impurity is moved along the z axis than the transversal one.

Der Einfluß homöopolarer Bindungsanteile auf die Struktur anorganischer Salze IV. Salzartige Verbindungen / The Influence of Homopolar Bond Parts on the Structure of Inorganic Salts. IV. Salt-like Compounds.

1974 ◽  
Vol 29 (4) ◽  
pp. 614-619 ◽  
Author(s):  
H. Krebs ◽  
H. Weyand
Keyword(s):  
Density Distribution ◽  
Electron Density ◽  
Electron Density Distribution ◽  
Alkali Atom ◽  
Inorganic Salts ◽  
Ionic Bond ◽  
Superconducting Properties ◽  
Alkali Atoms ◽  
Bond System

It is shown that the s- and p-orbitals of the alkali atom valency electrons participate in the bond system of the alkali halogenides. The so-called ionic bond is merely an approximation. To prove this, the electron density distribution in LiF, the quadrupole and the superhyperfine electronnucleon interaction in Cr+-doted LiF, NaF and NaCl, and the influence of the s-orbitals on the superconducting properties of compounds containing alkali atoms are considered.

Hydrogenic system in an off-centre confining oscillator potential

2004 ◽  
Vol 82 (11) ◽  
pp. 917-930 ◽  
Author(s):  
S H Patil ◽  
Y P Varshni
Keyword(s):  
Wave Function ◽  
Ground State ◽  
Oscillator Potential ◽  
Elliptic Coordinates ◽  
Model Wave Function ◽  
General Properties ◽  
Potential Strength ◽  
Model Wave ◽  
03.65 Ge

The hydrogenic system, confined in an off-centre oscillator potential, is separable in terms of elliptic coordinates. Its general properties are analysed and energies are obtained for some states, for some values of displacement and potential strength. A model wave function is developed and used to obtain the energies and polarizabilities for the ground state. PACS Nos.: 03.65.Ge, 73.21.La, 78.67.Hc

scholarly journals Close Coupling Theory of Positron Scattering from Alkali Atoms

1994 ◽  
Vol 47 (6) ◽  
pp. 721 ◽  
Author(s):  
Jim Mitroy ◽  
Kurunathan Ratnavelu
Keyword(s):  
Cross Sections ◽  
Alkali Atom ◽  
Coupling Theory ◽  
Positron Scattering ◽  
Close Coupling ◽  
Total Cross Sections ◽  
Hartree Fock ◽  
Atom Scattering ◽  
Alkali Atoms ◽  
Rearrangement Process

The close coupling equatious for positron-alkali atom scattering are written as a set of coupled momentum-space Lippmann-Schwinger equations. The alkali atom is represented by a frozen-core model based upon the Hartree-Fock approximation. The interaction between the positronium and the residual ion is modified by the inclusion of a core potential. Similarly, a core term is present in the interaction describing the rearrangement process. Close coupling calculations of positron scattering from sodium are performed in a model containing multiple sodium (3s, 3p, 4s, 3d, 4p) and positronium (Is, 2s, 2p) states. Cross sections are reported for an energy range from threshold to 50�eV; the total cross sections are in agreement with experimental data.

Inelastic collisions between excited alkali atoms and molecules. V. Sensitized fluorescence in mixtures of sodium with N2, H2, HD, and D2

1968 ◽  
Vol 46 (19) ◽  
pp. 2127-2131 ◽  
Author(s):  
M. Stupavsky ◽  
L. Krause
Keyword(s):  
Cross Sections ◽  
Ground State ◽  
Resonance Effect ◽  
Excitation Transfer ◽  
Inelastic Collisions ◽  
Sodium Vapor ◽  
Sensitized Fluorescence ◽  
Atoms And Molecules ◽  
Alkali Atoms ◽  
Exciting Beam

3 2P1/2 ↔ 3 2P3/2 excitation transfer in sodium, induced in inelastic collisions with ground-state N2, H2, HD, and D2 molecules, has been investigated in a series of sensitized fluorescence experiments. Mixtures of sodium vapor at a pressure of 5 × 10−7 Torr, and the gases, were irradiated with each NaD component in turn, and the fluorescence which contained both D components was monitored at right angles to the direction of the exciting beam. Measurements of the relative intensities of the NaD fluorescent components yielded the following collision cross sections for excitation transfer. For Na–N2 collisions: Q12(2P1/2 → P3/2) = 144 Å2, Q21(2P1,2 ← 2P3/2) = 76 Å2 for Na–H2 collisions: Q12 = 80 Å2, Q21 = 42 Å2. For Na–HD collisions: Q12 = 84 Å2, Q21 = 44 Å2. For Na–D2 collisions: Q12 = 98 Å2, Q21 = 52 Å2. The cross sections Q21 exhibit a slight resonance effect between the atomic and molecular rotational transitions.

Wave functions for the hydrogen atom in a dense plasma

2003 ◽  
Vol 81 (11) ◽  
pp. 1243-1248 ◽  
Author(s):  
Y P Varshni
Keyword(s):  
Hydrogen Atom ◽  
Dense Plasma ◽  
Wave Functions ◽  
Electron Interaction ◽  
Dipole Polarizability ◽  
Variational Wave Functions ◽  
Absorption Oscillator Strength ◽  
Variational Wave ◽  
Good Agreement ◽  
03.65 Ge

A hydrogen atom in a high-density plasma is simulated by a model in which the hydrogen atom is confined in an impenetrable spherical box, with the atom at the centre. For the proton–electron interaction the Debye–Huckel potential is used. Variational wave functions are proposed for the 1s and 2p states. Energies calculated from these for different values of the radius of box (r0) are shown to be in good agreement with the exact values. The variational wave functions are further employed to calculate the absorption oscillator strength for the 1s [Formula: see text] 2p transition and the dipole polarizability for different values of r0. PACS Nos.: 03.65.Ge, 32.70.Os, 31.70.Dk, 52.20.–j

Optical detection of spin multipole order in the ground state of alkali atoms

1997 ◽  
Vol 42 (1) ◽  
pp. 5-13 ◽  
Author(s):  
J.D. Xu ◽  
G. Wäckerle ◽  
M. Mehring
Keyword(s):  
Ground State ◽  
Optical Detection ◽  
Alkali Atoms

Ground-state dipole polarizability of lithium hydride. Accurate SCF and CAS SCF calculations

1982 ◽  
Vol 86 (4) ◽  
pp. 374-379 ◽  
Author(s):  
Gunnar Karlström ◽  
Björn O. Roos ◽  
Andrzej J. Sadlej
Keyword(s):  
Ground State ◽  
Lithium Hydride ◽  
Dipole Polarizability ◽  
Scf Calculations
Sign in / Sign up

Export Citation Format

Share Document