scholarly journals NMR shielding tensors for density fitted local second-order Møller-Plesset perturbation theory using gauge including atomic orbitals

2012 ◽  
Vol 137 (8) ◽  
pp. 084107 ◽  
Author(s):  
Stefan Loibl ◽  
Martin Schütz
Keyword(s):  
Perturbation Theory ◽  
Second Order ◽  
Atomic Orbitals ◽  
Shielding Tensors ◽  
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.

Sign in / Sign up

Export Citation Format

Share Document