scholarly journals Forces and stress in second order Møller-Plesset perturbation theory for condensed phase systems within the resolution-of-identity Gaussian and plane waves approach

2015 ◽  
Vol 143 (10) ◽  
pp. 102803 ◽  
Author(s):  
Mauro Del Ben ◽  
Jürg Hutter ◽  
Joost VandeVondele
Keyword(s):  
Perturbation Theory ◽  
Condensed Phase ◽  
Plane Waves ◽  
Second Order ◽  
Phase Systems ◽  
Moller Plesset ◽  
Plesset Perturbation Theory

scholarly journals Relations between the aromaticity and magnetic dipole transitions in the electronic spectra of hetero[8]circulenes

2018 ◽  
Vol 20 (48) ◽  
pp. 30239-30246 ◽  
Author(s):  
R. R. Valiev ◽  
G. V. Baryshnikov ◽  
D. Sundholm
Keyword(s):  
Perturbation Theory ◽  
Magnetic Dipole ◽  
Electronic Spectra ◽  
Second Order ◽  
Induced Current ◽  
Current Densities ◽  
Magnetic Dipole Transitions ◽  
Moller Plesset ◽  
Plesset Perturbation Theory

Magnetically induced current densities have been calculated at the second-order Møller–Plesset perturbation theory (MP2) level for seven hetero[8]circulenes and their dicationic and dianionic forms.

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