Iterative diagonalization in the state-averaged multi-configurational time-dependent Hartree approach: Excited state tunneling splittings in malonaldehyde

2012 ◽  
Vol 136 (5) ◽  
pp. 054105 ◽  
Author(s):  
Thorsten Hammer ◽  
Uwe Manthe
Keyword(s):  
Excited State ◽  
The State ◽  
Time Dependent ◽  
Tunneling Splittings

scholarly journals Ground- and excited-state characteristics in photovoltaic polymer N2200

RSC Advances ◽  
2021 ◽  
Author(s):  
Guanzhao Wen ◽  
Xianshao Zou ◽  
Rong Hu ◽  
Jun Peng ◽  
Zhifeng Chen ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Excited State ◽  
Steady State ◽  
Excited States ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Time Dependent ◽  
Functional Theory ◽  
Time Resolved ◽  
Dependent Density

Ground- and excited-states properties of N2200 have been studied by steady-state and time-resolved spectroscopies as well as time-dependent density functional theory calculations.

Time dependent fluorescence properties of the excited state of donor-acceptor substituted biaryls in protic solvents

1996 ◽  
Author(s):  
F. Lahmani ◽  
E. Bréhéret ◽  
O. Benoist d’Azy ◽  
A. Zehnacker-Rentien ◽  
J. F. Delouis
Keyword(s):  
Excited State ◽  
Time Dependent ◽  
Fluorescence Properties ◽  
Protic Solvents ◽  
Donor Acceptor

α-PARTICLE CONDENSED STATE IN 16O

2009 ◽  
Vol 18 (10) ◽  
pp. 2083-2087
Author(s):  
Y. FUNAKI ◽  
T. YAMADA ◽  
H. HORIUCHI ◽  
G. RÖPKE ◽  
P. SCHUCK ◽  
...  
Keyword(s):  
Excited State ◽  
Strong Evidence ◽  
The State ◽  
Orthogonality Condition ◽  
Condensed State ◽  
Density Structure ◽  
Large Component ◽  
Condition Model ◽  
Strong Enhancement ◽  
Α Particles

The α-particle condensed state in 16 O is investigated by the use of 4α OCM (Orthogonality Condition Model). Low-lying spectrum in experiment is well reproduced up to around the 4α threshold. Furthermore, the excited state obtained around the 4α threshold as the [Formula: see text] state is shown to have a dilute density structure and give strong enhancement of the occupation of the S-state c.o.m. orbital of the α-particles. This is strong evidence that the state is regarded as the 4α condensed state. It also has a large component of [Formula: see text] configuration, which is another reliable evidence of the state to be of 4α condensate nature.

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