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

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

2020 ◽  
Author(s):  
Soumi Haldar ◽  
Achintya Kumar Dutta

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>


1998 ◽  
Vol 282 (2) ◽  
pp. 204-208 ◽  
Author(s):  
Li Wang ◽  
Haiyang Li ◽  
Jiling Bai ◽  
Richang Lu

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