Efficient implementation of the non-Dyson third-order algebraic diagrammatic construction approximation for the electron propagator for closed- and open-shell molecules

2019 ◽  
Vol 150 (6) ◽  
pp. 064108 ◽  
Author(s):  
Adrian L. Dempwolff ◽  
Matthias Schneider ◽  
Manuel Hodecker ◽  
Andreas Dreuw
Keyword(s):  
Open Shell ◽  
Efficient Implementation ◽  
Third Order ◽  
Electron Propagator ◽  
Order Algebraic

Third-Order Nonlinear Optical Properties of Open-Shell Systems: Diradical Character and Spin State Dependences

2009 ◽  
Author(s):  
Masayoshi Nakano ◽  
Hitoshi Fukui ◽  
Hiroshi Nagai ◽  
Takuya Minami ◽  
Ryohei Kishi ◽  
...  
Keyword(s):  
Optical Properties ◽  
Spin State ◽  
Nonlinear Optical ◽  
Open Shell ◽  
Nonlinear Optical Properties ◽  
Third Order ◽  
Diradical Character

Spin polarization and third-order nonlinear optical properties of open-shell singlet graphene nanoflakes

2012 ◽  
Author(s):  
Masayoshi Nakano ◽  
Kyohei Yoneda ◽  
Hiroshi Nagai ◽  
Takashi Kubo ◽  
Kenji Kamada ◽  
...  
Keyword(s):  
Optical Properties ◽  
Spin Polarization ◽  
Nonlinear Optical ◽  
Open Shell ◽  
Nonlinear Optical Properties ◽  
Third Order ◽  
Graphene Nanoflakes

Third-order nonlinear optical properties of open-shell singlet molecular aggregates composed of diphenalenyl diradicals

2009 ◽  
Vol 159 (21-22) ◽  
pp. 2413-2415 ◽  
Author(s):  
M. Nakano ◽  
H. Fukui ◽  
H. Nagai ◽  
T. Minami ◽  
R. Kishi ◽  
...  
Keyword(s):  
Optical Properties ◽  
Nonlinear Optical ◽  
Open Shell ◽  
Nonlinear Optical Properties ◽  
Molecular Aggregates ◽  
Third Order

Multiconfigurational electron propagator (MCEP) ionization potentials for general open shell systems

1984 ◽  
Vol 80 (1) ◽  
pp. 293-314 ◽  
Author(s):  
Jeffrey A. Nichols ◽  
Danny L. Yeager ◽  
Poul Jo/rgensen
Keyword(s):  
Open Shell ◽  
Ionization Potentials ◽  
Electron Propagator
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