scholarly journals Communication: Heavy-Rydberg states of HD and the electron affinity of the deuterium atom

2018 ◽  
Vol 149 (3) ◽  
pp. 031102 ◽  
Author(s):  
Maximilian Beyer ◽  
Frédéric Merkt
Keyword(s):  
Electron Affinity ◽  
Rydberg States ◽  
Deuterium Atom

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

A Multi-Layer Approach to the Equation of Motion Coupled-Cluster Method for the Electron Affinity

2020 ◽  
Author(s):  
Soumi Haldar ◽  
Achintya Kumar Dutta
Keyword(s):  
Electron Affinity ◽  
Electron Attachment ◽  
Equation Of Motion ◽  
Cluster Method ◽  
Coupled Cluster ◽  
Coupled Cluster Method ◽  
Large Molecules ◽  
Layer Method ◽  
Speed Up ◽  
Attachment Process

We have presented a multi-layer implementation of the equation of motion coupled-cluster method for the electron affinity, based on local and pair natural orbitals. The method gives consistent accuracy for both localized and delocalized anionic states. It results in many fold speedup in computational timing as compared to the canonical and DLPNO based implementation of the EA-EOM-CCSD method. We have also developed an explicit fragment-based approach which can lead to even higher speed-up with little loss in accuracy. The multi-layer method can be used to treat the environmental effect of both bonded and non-bonded nature on the electron attachment process in large molecules.<br>

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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