scholarly journals Dissociative-recombination product states and the dissociation energy D0 of Ne2+

10.2172/2395 ◽  
1998 ◽  
Author(s):  
K. A. Hardy ◽  
J. R. Peterson ◽  
G. Ramos ◽  
J. W. Sheldon
1997 ◽  
Vol 56 (3) ◽  
pp. 1913-1919 ◽  
Author(s):  
Gloria Ramos ◽  
J. Sheldon ◽  
K. Hardy ◽  
J. Peterson

1982 ◽  
Vol 136 (1) ◽  
pp. 25 ◽  
Author(s):  
Aleksandr V. Eletskii ◽  
Boris M. Smirnov

2017 ◽  
Author(s):  
Manoj Kumar Kesharwani ◽  
Nitai Sylvetsky ◽  
Debashree Manna ◽  
Jan M.L. Martin

<p>We have re-evaluated the X40x10 benchmark for halogen bonding using conventional and explicitly correlated coupled cluster methods. For the aromatic dimers at small separation, improved CCSD(T)–MP2 “high-level corrections” (HLCs) cause substantial reductions in the dissociation energy. For the bromine and iodine species, (n-1)d subvalence correlation increases dissociation energies, and turns out to be more important for noncovalent interactions than is generally realized. As in previous studies, we find that the most efficient way to obtain HLCs is to combine (T) from conventional CCSD(T) calculations with explicitly correlated CCSD-F12–MP2-F12 differences.</p>


2005 ◽  
Vol 4 ◽  
pp. 162-167 ◽  
Author(s):  
N Vinci ◽  
N de Ruette ◽  
F O Waffeu Tamo ◽  
O Motapon ◽  
M Fifirig ◽  
...  

2021 ◽  
Vol 129 (5) ◽  
pp. 053303
Author(s):  
A. Abdoulanziz ◽  
C. Argentin ◽  
V. Laporta ◽  
K. Chakrabarti ◽  
A. Bultel ◽  
...  

2021 ◽  
Vol 103 (5) ◽  
Author(s):  
I. I. Fabrikant ◽  
H. B. Ambalampitiya ◽  
I. F. Schneider

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