Theoretical study of the π → π∗ excited states of linear polyene radical cations and dications

1997 ◽  
Vol 267 (1-2) ◽  
pp. 82-90 ◽  
Author(s):  
Yukio Kawashima ◽  
Kenichi Nakayama ◽  
Haruyuki Nakano ◽  
Kimihiko Hirao
Keyword(s):  
Excited States ◽  
Theoretical Study ◽  
Radical Cations ◽  
Linear Polyene

Excited states in polyene radical cations. An ab initio theoretical study

1995 ◽  
Vol 236 (1-2) ◽  
pp. 167-176 ◽  
Author(s):  
M.P. Fülscher ◽  
S. Matzinger ◽  
T. Bally
Keyword(s):  
Ab Initio ◽  
Excited States ◽  
Theoretical Study ◽  
Radical Cations

A Theoretical Study of the Low-Lying Excited States oftrans- andcis-Urocanic Acid

1999 ◽  
Vol 103 (48) ◽  
pp. 9864-9871 ◽  
Author(s):  
Christopher S. Page ◽  
Manuela Merchán ◽  
Luis Serrano-Andrés ◽  
Massimo Olivucci
Keyword(s):  
Excited States ◽  
Theoretical Study ◽  
Urocanic Acid

Experimental and theoretical study of core-excited states of Al III

1990 ◽  
Vol 42 (5) ◽  
pp. 543-550 ◽  
Author(s):  
J O Gaardsted ◽  
T Brage ◽  
C Froese Fischer ◽  
D Sonnek
Keyword(s):  
Excited States ◽  
Theoretical Study

scholarly journals Erratum to: Theoretical Study of the Electronic Excited States and Fluorescence Spectra of Squaraine in Solution

2014 ◽  
Vol 43 (9-10) ◽  
pp. 1644-1644
Author(s):  
Hitoshi Ozawa ◽  
Kazunori Yashiro ◽  
Takuma Yamamoto ◽  
Satoshi Yabushita
Keyword(s):  
Excited States ◽  
Fluorescence Spectra ◽  
Theoretical Study ◽  
Electronic Excited States

Theoretical Study of the Electronic Excited States of Tetracyanoethylene and Its Radical Anion

ChemPhysChem ◽  
2005 ◽  
Vol 6 (3) ◽  
pp. 503-510 ◽  
Author(s):  
Begoña Milián ◽  
Rosendo Pou-Amérigo ◽  
Manuela Merchán ◽  
Enrique Ortí
Keyword(s):  
Excited States ◽  
Radical Anion ◽  
Theoretical Study ◽  
Electronic Excited States

QUANTUM REFLECTION, EVAPORATION, AND TRANSPORT CURRENTS AT 4He SURFACES

2006 ◽  
Vol 20 (30n31) ◽  
pp. 5047-5056
Author(s):  
V. APAJA ◽  
E. KROTSCHECK ◽  
A. RIMNAC ◽  
R. E. ZILLICH
Keyword(s):  
Excited States ◽  
Theoretical Study ◽  
Transport Phenomena ◽  
Microscopic Theory ◽  
Second Order ◽  
Quantum Liquid ◽  
Quantum Reflection ◽  
Quantum Liquids ◽  
Inhomogeneous Quantum

In this work, we study transport currents in excited states. This requires the calculation of particle currents [Formula: see text] to second order in the excitation amplitudes. For that purpose, we take a well-tested microscopic theory of inhomogeneous quantum liquids and extend it to find the mass currents created when atoms scatter off a surface or when excitations evaporate atoms. This is the first theoretical study of transport phenomena in a quantum liquid based on a quantitative microscopic theory.

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