scholarly journals Direct determination of second-order density matrix using density equation: Open-shell system and excited state

2000 ◽  
Vol 112 (20) ◽  
pp. 8772-8778 ◽  
Author(s):  
Maho Nakata ◽  
Masahiro Ehara ◽  
Koji Yasuda ◽  
Hiroshi Nakatsuji
Keyword(s):  
Excited State ◽  
Density Matrix ◽  
Direct Determination ◽  
Open Shell ◽  
Second Order ◽  
Shell System ◽  
Density Equation ◽  
Open Shell System

First- and second-order approaches for the direct determination of bridging stresses from R-curves

2010 ◽  
Vol 30 (6) ◽  
pp. 1229-1236 ◽  
Author(s):  
S. Fünfschilling ◽  
T. Fett ◽  
S.E. Gallops ◽  
J.J. Kruzic ◽  
R. Oberacker ◽  
...  
Keyword(s):  
Direct Determination ◽  
Second Order ◽  
Bridging Stresses

Spin Transfer and Solvato-/Thermochromism Induced by Intramolecular Electron Transfer in a Purely Organic Open-Shell System

2005 ◽  
Vol 44 (44) ◽  
pp. 7277-7280 ◽  
Author(s):  
Shinsuke Nishida ◽  
Yasushi Morita ◽  
Kozo Fukui ◽  
Kazunobu Sato ◽  
Daisuke Shiomi ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Open Shell ◽  
Spin Transfer ◽  
Intramolecular Electron Transfer ◽  
Shell System ◽  
Open Shell System
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