Pseudopotential Theory of Atomic and Molecular Rydberg States

1966 ◽  
Vol 45 (8) ◽  
pp. 3004-3014 ◽  
Author(s):  
Andrew U. Hazi ◽  
Stuart A. Rice
Keyword(s):  
Rydberg States ◽  
Pseudopotential Theory

A CASSCF/MRCI study of the low-lying Rydberg states of ClO

2000 ◽  
Vol 98 (12) ◽  
pp. 793-806 ◽  
Author(s):  
Ian C. Lane, Andrew J. Orr-Ewing
Keyword(s):  
Rydberg States

MQDT operatorial formalism analysis of molecular Rydberg states in weak electric fields : application to Na2

1991 ◽  
Vol 1 (8) ◽  
pp. 875-897 ◽  
Author(s):  
P. F. Brevet ◽  
Ch. Bordas ◽  
M. Broyer ◽  
G. Jalbert ◽  
P. Labastie
Keyword(s):  
Electric Fields ◽  
Rydberg States

Interionic Pair Potential, hard sphere diameter and entropy of mixing of NaCd compound forming binary molten alloys under the framework of Pseudopotential theory

2014 ◽  
Vol 10 (6) ◽  
pp. 2843-2852
Author(s):  
Sujeet Kumar Chatterjee ◽  
Lokesh Chandra Prasad ◽  
Ajaya Bhattarai
Keyword(s):  
Nearest Neighbor ◽  
Effective Interaction ◽  
Pair Potential ◽  
Sphere Diameter ◽  
Compound Formation ◽  
Pseudopotential Theory ◽  
Energy Of Mixing ◽  
Asymmetric Behaviour ◽  
Statistical Mechanical ◽  
Free Energy Of Mixing

The observed asymmetric behaviour of mixing of  NaCd liquid alloys around equiatomic composition with smaller negative values for free energy of mixing at compound forming concentration, i.e. GMXS = -4.9KJ at Ccd =0.66 has  aroused our interest to undertake a theoretical investigation of this system.A simple statistical mechanical theory based on compound formation model has been used to investigate the energetics of formation of intermetallic compound Cd2Na in the melt through the study of entropy of mixing.Besides, the interionic interactions between component atoms Na and Cd of the alloys have been understood through the study of interionic pair potential фij(r), calculated from pseudopotential theory in the light of CF model.Our study of фij(r) suggest that the effective interaction between Na-Na atoms decreases on alloying with Cd atom, being minimum for compound forming alloy( Cd 0.66 Na 0.34 ).The nearest neighbor distance between Na-Na atoms does not alter on alloying. Like wise Na-Na,  effective interaction between  Cd-Cd atom decreases from pure state to NaCd alloys, being smaller at compound forming  concentration Cd 0.66 Na 0.34.The computed values of SM from pseudopotential theory are positive at all concentrations, but the agreement between theory and experimental is not satisfactory. This might be happening due to parameterisation of σ3 and Ψcompound.

A novel method for the generation of high Rydberg states of atoms and molecules

1998 ◽  
Vol 282 (2) ◽  
pp. 204-208 ◽  
Author(s):  
Li Wang ◽  
Haiyang Li ◽  
Jiling Bai ◽  
Richang Lu
Keyword(s):  
Rydberg States ◽  
Atoms And Molecules ◽  
Novel Method
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