Femtosecond Real-Time Probing of Reactions. 15. Time-Dependent Coherent Alignment

1994 ◽  
Vol 98 (13) ◽  
pp. 3337-3351 ◽  
Author(s):  
J. Spencer Baskin ◽  
Ahmed H. Zewail
Keyword(s):  
Real Time ◽  
Time Dependent

ODE integration schemes for plane-wave real-time time-dependent density functional theory

2019 ◽  
Vol 150 (1) ◽  
pp. 014101 ◽  
Author(s):  
Daniel A. Rehn ◽  
Yuan Shen ◽  
Marika E. Buchholz ◽  
Madan Dubey ◽  
Raju Namburu ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Plane Wave ◽  
Real Time ◽  
Density Functional ◽  
Time Dependent ◽  
Functional Theory ◽  
Integration Schemes ◽  
Dependent Density

scholarly journals Role of Exchange and Correlation in High-Harmonic Generation Spectra of H2, N2 and CO2: Real-Time Time-Dependent Electronic-Structure Approaches

2020 ◽  
Author(s):  
Emanuele Coccia ◽  
Eleonora Luppi ◽  
Carlo Federico Pauletti
Keyword(s):  
Real Time ◽  
Harmonic Generation ◽  
Density Functional ◽  
High Harmonic ◽  
High Harmonic Generation ◽  
Time Dependent ◽  
Basis Sets ◽  
Gaussian Basis Sets ◽  
Hartree Fock ◽  
Exchange And Correlation

<p>This study arises from the attempt to answer the following question: how different descriptions of electronic exchange and correlation affect the high-harmonic generation (HHG) spectroscopy of H2, N2 and CO2 molecules? We compare HHG spectra for H2, N2 and CO2 with different ab initio electronic structures methods: real-time time-dependent configuration interaction (RT-TDCIS) and real-time time-dependent density functional theory (RT-TDDFT) using truncated basis sets composed of correlated wave functions expanded on Gaussian basis sets. In the framework of RT-TDDFT, we employ PBE and LC-ωPBE functionals. We study HHG spectroscopy by disentangling the effect of electronic exchange and correlation. We first analyse the electronic exchange alone and in the case of RT-TDDFT with LC-ωPBE, we use ω = 0.3 and ω = 0.4 to tune the percentage of long-range Hartree-Fock exchange and of short-range exchange PBE. Then, we added the correlation as described by PBE functional. All the methods give very similar HHG spectra and they seem not to be particularly sensitive to the different description of exchange and correlation or to the correct asymptotic behaviour of the Coulomb potential. Despite this general trend, some differences are found in the region connecting the cutoff and the background. Here, the harmonics can be resolved with different accuracy depending on the theoretical schemes used. We believe that the investigation of the molecular continuum and its coupling with strong fields merits further theoretical investigations in the next future. </p>

scholarly journals Full-Field Viscoelastic Inflation Response of Bovine Cornea

2008 ◽  
Author(s):  
B. L. Boyce ◽  
T. D. Nguyen ◽  
R. E. Jones
Keyword(s):  
Real Time ◽  
Experimental Studies ◽  
Time Dependent ◽  
Full Field ◽  
3 Dimensional ◽  
Displacement Mapping ◽  
Mapping Tool ◽  
Unique Approach ◽  
In Vivo Characterization

Most previous experimental studies and mechanical cornea models have ignored time-dependence of the cornea’s modulus, with only a few notable exceptions [1–3]. The purpose of the present work was to evaluate the time-dependent properties of cornea tissue independent of scleral contributions in a condition that is as physiologically-relevant as possible without resorting to costly and difficult in vivo characterization. A non-contact 3-dimensional displacement mapping tool was employed to image the entire deformation field across the entire cornea in real-time during pressurization. Unlike prior inflation-based studies, the present study’s unique approach permits dynamic real-time full-field mapping of deformation during inflation for the examination of viscoelasticity, isotropy, and homogeneity.

Relativistic Real-Time Time-Dependent Equation-of-Motion Coupled-Cluster

2019 ◽  
Vol 15 (12) ◽  
pp. 6617-6624 ◽  
Author(s):  
Lauren N. Koulias ◽  
David B. Williams-Young ◽  
Daniel R. Nascimento ◽  
A. Eugene DePrince ◽  
Xiaosong Li
Keyword(s):  
Real Time ◽  
Equation Of Motion ◽  
Time Dependent ◽  
Coupled Cluster

Real-time estimation of time-dependent imposed heat flux in graded index media by KF-RLSE algorithm

2019 ◽  
Vol 150 ◽  
pp. 1-10 ◽  
Author(s):  
Shuang Wen ◽  
Hong Qi ◽  
Xiao-Ying Yu ◽  
Ya-Tao Ren ◽  
Lin-Yang Wei ◽  
...  
Keyword(s):  
Heat Flux ◽  
Real Time ◽  
Time Estimation ◽  
Time Dependent ◽  
Graded Index ◽  
Real Time Estimation ◽  
Estimation Of Time
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