complex polarizability
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scholarly journals Complex Excited State Polarizabilities in the ADC/ISR Framework

2020 ◽  
Author(s):  
Maximilian Scheurer ◽  
Thomas Fransson ◽  
Patrick Norman ◽  
Andreas Dreuw ◽  
Dirk R. Rehn
Keyword(s):  
Excited States ◽  
Model Systems ◽  
Coupled Cluster ◽  
Complex Frequency ◽  
State Representation ◽  
Third Order ◽  
Dispersion Coefficients ◽  
Coupled Cluster Theory ◽  
Small Model ◽  
Complex Polarizability

<div><div><div><p>We present the derivation and implementation of complex, frequency-dependent polarizabilities for excited states using the algebraic-diagrammatic construction for the polarization propagator (ADC) and its intermediate state representation (ISR). Based on the complex polarizability we evaluate C<sub>6</sub> dispersion coefficients for excited states. The methodology is implemented up to third order in perturbation theory in the Python-driven adcc toolkit for the development and application of ADC methods. We exemplify the approach using small model systems and compare it to results from coupled-cluster theory and from experiments.</p></div></div></div>

scholarly journals Complex Excited State Polarizabilities in the ADC/ISR Framework

2020 ◽  
Author(s):  
Maximilian Scheurer ◽  
Thomas Fransson ◽  
Patrick Norman ◽  
Andreas Dreuw ◽  
Dirk R. Rehn
Keyword(s):  
Excited States ◽  
Model Systems ◽  
Coupled Cluster ◽  
Complex Frequency ◽  
State Representation ◽  
Third Order ◽  
Dispersion Coefficients ◽  
Coupled Cluster Theory ◽  
Small Model ◽  
Complex Polarizability

<div><div><div><p>We present the derivation and implementation of complex, frequency-dependent polarizabilities for excited states using the algebraic-diagrammatic construction for the polarization propagator (ADC) and its intermediate state representation (ISR). Based on the complex polarizability we evaluate C<sub>6</sub> dispersion coefficients for excited states. The methodology is implemented up to third order in perturbation theory in the Python-driven adcc toolkit for the development and application of ADC methods. We exemplify the approach using small model systems and compare it to results from coupled-cluster theory and from experiments.</p></div></div></div>

scholarly journals Complex Excited State Polarizabilities in the ADC/ISR Framework

2020 ◽  
Author(s):  
Maximilian Scheurer ◽  
Thomas Fransson ◽  
Patrick Norman ◽  
Andreas Dreuw ◽  
Dirk R. Rehn
Keyword(s):  
Excited States ◽  
Model Systems ◽  
Coupled Cluster ◽  
Complex Frequency ◽  
State Representation ◽  
Third Order ◽  
Dispersion Coefficients ◽  
Coupled Cluster Theory ◽  
Small Model ◽  
Complex Polarizability

<div><div><div><p>We present the derivation and implementation of complex, frequency-dependent polarizabilities for excited states using the algebraic-diagrammatic construction for the polarization propagator (ADC) and its intermediate state representation (ISR). Based on the complex polarizability we evaluate C<sub>6</sub> dispersion coefficients for excited states. The methodology is implemented up to third order in perturbation theory in the Python-driven adcc toolkit for the development and application of ADC methods. We exemplify the approach using small model systems and compare it to results from coupled-cluster theory and from experiments.</p></div></div></div>

Extension of the Time-Dependent Density Functional Complex Polarizability Algorithm to Circular Dichroism: Implementation and Applications to Ag8 and Au38(SC2H4C6H5)24

2016 ◽  
Vol 120 (42) ◽  
pp. 24335-24345 ◽  
Author(s):  
Oscar Baseggio ◽  
Daniele Toffoli ◽  
Giovanna Fronzoni ◽  
Mauro Stener ◽  
Luca Sementa ◽  
...  
Keyword(s):  
Circular Dichroism ◽  
Density Functional ◽  
Time Dependent ◽  
Functional Complex ◽  
Circular Dichroïsm ◽  
Complex Polarizability ◽  
Dependent Density

Polarization-resolved ultrafast dynamics of the complex polarizability in single gold nanoparticles

2013 ◽  
Vol 15 (12) ◽  
pp. 4226 ◽  
Author(s):  
Francesco Masia ◽  
Wolfgang Langbein ◽  
Paola Borri
Keyword(s):  
Gold Nanoparticles ◽  
Ultrafast Dynamics ◽  
Complex Polarizability

Resonance Raman Spectra of TNT and RDX Using Vibronic Theory, Excited-State Gradient, and Complex Polarizability Approximations

2012 ◽  
Vol 116 (30) ◽  
pp. 7862-7872 ◽  
Author(s):  
W. A. Al-Saidi ◽  
Sanford A. Asher ◽  
Patrick Norman
Keyword(s):  
Excited State ◽  
Raman Spectra ◽  
Resonance Raman ◽  
Resonance Raman Spectra ◽  
Complex Polarizability

Retrieving the complex polarizability of single plasmonic nanoresonators

2009 ◽  
Vol 80 (15) ◽  
Author(s):  
M. Celebrano ◽  
M. Savoini ◽  
P. Biagioni ◽  
M. Zavelani-Rossi ◽  
P.-M. Adam ◽  
...  
Keyword(s):  
Complex Polarizability

Measurement of the complex polarizability of electron traps in Bi_12SiO_20 by a moving-grating technique

1993 ◽  
Vol 18 (21) ◽  
pp. 1780 ◽  
Author(s):  
Ping Xia ◽  
J. M. C. Jonathan ◽  
J. P. Partanen ◽  
R. W. Hellwarth
Keyword(s):  
Electron Traps ◽  
Complex Polarizability
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