A configuration interaction study of the ground and first excited 1∑+ states of the NaI molecule

1992 ◽  
Vol 70 (2) ◽  
pp. 309-313 ◽  
Author(s):  
Yoshiko Sakai ◽  
Eisaku Miyoshi ◽  
Tosinobu Anno
Keyword(s):  
Excited State ◽  
Potential Method ◽  
Model Potential ◽  
Calculation Model ◽  
Geometrical Parameters ◽  
Interaction Study ◽  
Avoided Crossing ◽  
Wide Range ◽  
Doubly Excited ◽  
First Excited State

Multireference singly and doubly excited CI (MRSDCI) calculations are performed on the NaI molecule by using a model potential method. The potential energy curves of the ground and first excited 1∑+ states are generated over a wide range of internuclear distance R. The curves yield the avoided crossing, which is expected to arise by the mixing of the ionic and covalent configurations, and thus the curve of the first excited state shows a shallow minimum. The geometrical parameters, dipole moment, and dissociation energy are calculated. The agreement of those with the experimental results is satisfactory. Keywords: NaI, MRSDCI calculation, model potential method, potential curve, excited state.

scholarly journals Emission Lines of CI and N II in Planetary Nebulae

1989 ◽  
Vol 131 ◽  
pp. 225-225
Author(s):  
V. Escalante
Keyword(s):  
Radiative Recombination ◽  
Transition Probabilities ◽  
Potential Method ◽  
Dielectronic Recombination ◽  
Model Potential ◽  
Emission Lines ◽  
Published Data ◽  
Recombination Rates ◽  
Doubly Excited ◽  
Ngc 7027

A model potential method (Caves and Dalgarno, 1972, J. Quant. Spect. Rad. Transf., 12, 1539) was used to calculate accurate non-hydrogenic radiative recombination rates and transition probabilities of singly excited states of CI and N II. The results can be used to determine the excitation mechanism of emission lines and to estimate N III concentrations in nebulae with CI and N II emission lines. In most nebulae, observed permitted lines of N II are produced by radiative recombination, but sometimes stronger recombination lines are missing in their spectra. The [CI] lines observed in NGC 7027 cannot be explained by simple radiative and dielectronic recombination. The low [CI] λλ9850 + 23/ λ8727 value may indicate that the emission is produced in high density (NeZ 105 cm−3) condensations where partial collisional deexcitation of metastable levels, takes place. N III concentrations were determined using published data of NGC 3242, NGC 3918, and NGC 6572. The procedure outlined by Wilkes et al. (1981, M.N.R.A.S., 197, 1) to determine N abundances from (N+ + N++)/He+ ratios does not always give consistent results with UV or [N II] data. The problem may be due to errors in the calculation of transition probabilities involving the doubly excited levels 2s2p33P0 and 3D0 of N II that affect the branching and effective recombination rate of the multiplet N II λ5680.

ELECTRON CORRELATION EFFECTS FOR DOUBLY-EXCITED STATES OF Be-LIKE Ar14+ ION

2004 ◽  
Vol 18 (17n19) ◽  
pp. 2590-2594
Author(s):  
BINGCONG GOU ◽  
YIDONG LIU ◽  
FENG WANG
Keyword(s):  
Excited States ◽  
Potential Method ◽  
Model Potential ◽  
Interaction Method ◽  
Configuration Interaction Method ◽  
Doubly Excited States ◽  
Quantum Numbers ◽  
Doubly Excited ◽  
Core Electrons ◽  
Electron Correlation Effects

The energies, radiative and Auger rates of the doubly excited states of Be-like Ar 14+ ion are studied by using the multi-configuration-interaction method and model potential method. The doubly excited states of Be-like Ar 14+ are labeled by the quantum numbers K, T and A to show the systematic regularity. The results show that the spectroscopy of Be-like ions is different from that of He-like ions because of the polarization and core penetration effects from the 1s2 core electrons.

scholarly journals Hydromechanics of low-Reynolds-number flow. Part 2. Singularity method for Stokes flows

1975 ◽  
Vol 67 (4) ◽  
pp. 787-815 ◽  
Author(s):  
Allen T. Chwang ◽  
T. Yao-Tsu Wu
Keyword(s):  
Exact Solutions ◽  
Stokes Flow ◽  
Fundamental Solutions ◽  
The Body ◽  
Circular Cylinders ◽  
Geometrical Parameters ◽  
Flow Problems ◽  
Singularity Method ◽  
Wide Range ◽  
Body Shapes

The present study further explores the fundamental singular solutions for Stokes flow that can be useful for constructing solutions over a wide range of free-stream profiles and body shapes. The primary singularity is the Stokeslet, which is associated with a singular point force embedded in a Stokes flow. From its derivatives other fundamental singularities can be obtained, including rotlets, stresslets, potential doublets and higher-order poles derived from them. For treating interior Stokes-flow problems new fundamental solutions are introduced; they include the Stokeson and its derivatives, called the roton and stresson.These fundamental singularities are employed here to construct exact solutions to a number of exterior and interior Stokes-flow problems for several specific body shapes translating and rotating in a viscous fluid which may itself be providing a primary flow. The different primary flows considered here include the uniform stream, shear flows, parabolic profiles and extensional flows (hyper-bolic profiles), while the body shapes cover prolate spheroids, spheres and circular cylinders. The salient features of these exact solutions (all obtained in closed form) regarding the types of singularities required for the construction of a solution in each specific case, their distribution densities and the range of validity of the solution, which may depend on the characteristic Reynolds numbers and governing geometrical parameters, are discussed.

scholarly journals The development of aryl-substituted 2-phenylimidazo[1,2-a]pyridines (PIP) with various colors of excited-state intramolecular proton transfer (ESIPT) luminescence in the solid state

2016 ◽  
Vol 4 (16) ◽  
pp. 3599-3606 ◽  
Author(s):  
Toshiki Mutai ◽  
Tatsuya Ohkawa ◽  
Hideaki Shono ◽  
Koji Araki
Keyword(s):  
Excited State ◽  
Solid State ◽  
Proton Transfer ◽  
Intramolecular Proton Transfer ◽  
Aryl Group ◽  
Red Emission ◽  
Wide Range

The color of ESIPT luminescence of HPIP is tuned in a wide range by the introduction of aryl group(s), and thus a series of PIPs showing blue to red emission is realized.

Lifetime of the First Excited State ofC15

1968 ◽  
Vol 166 (4) ◽  
pp. 988-991 ◽  
Author(s):  
R. A. Mendelson ◽  
R. T. Carpenter
Keyword(s):  
Excited State ◽  
First Excited State

Energy of the first excited state of Sr86

1963 ◽  
Vol 47 ◽  
pp. 443-448 ◽  
Author(s):  
Joseph W. Harpster ◽  
Donald L. Bennett ◽  
Karl J. Casper
Keyword(s):  
Excited State ◽  
First Excited State

ChemInform Abstract: Spectroscopy and Dynamics of the First Excited State of 1- and 2- Cyanonaphthalene Cooled in a Supersonic Jet.

ChemInform ◽  
2010 ◽  
Vol 24 (22) ◽  
pp. no-no
Author(s):  
F. LAHMANI ◽  
E. BREHERET ◽  
A. ZEHNACKER-RENTIEN ◽  
T. EBATA
Keyword(s):  
Excited State ◽  
Supersonic Jet ◽  
First Excited State
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