Time-dependent fragment distributions detected via pump-probe ionisation: a theoretical approach

2001 ◽  
Vol 14 (2) ◽  
pp. 257-265 ◽  
Author(s):  
J. Degert ◽  
C. Meier ◽  
B. Girard ◽  
M.J.J. Vrakking
Keyword(s):  
Theoretical Approach ◽  
Time Dependent ◽  
Pump Probe

An Introduction to Time-Resolved Pump/Probe Spectroscopy

1985 ◽  
Vol 39 (3) ◽  
pp. 444-451 ◽  
Author(s):  
F. E. Lytle ◽  
R. M. Parrish ◽  
W. T. Barnes
Keyword(s):  
Absorption Spectra ◽  
Ground State ◽  
Fluorescence Spectra ◽  
Excited State Absorption ◽  
Time Dependent ◽  
Triplet Excited State ◽  
Ground State Absorption ◽  
Time Resolved ◽  
Pump Probe ◽  
Probe Spectroscopy

The construction and operating principles of a two-color pump/probe spectrometer are described. This instrument is capable of obtaining ground-state absorption spectra, both singlet-singlet and triplet-triplet excited-state absorption spectra, photoproduct spectra, and stimulated fluorescence spectra. In addition, time-dependent measurements can be made with an impulse response of 250 ps and a free temporal range of 13 ns.

SIMULATIONS OF PUMP-PROBE EXCITATIONS OF ELECTRONIC WAVE PACKETS FOR A LARGE QUASI-RIGID MOLECULAR SYSTEM BY MEANS OF AN EXTENSION TO THE TIME-DEPENDENT CONFIGURATION INTERACTION SINGLES METHOD

2013 ◽  
Vol 12 (03) ◽  
pp. 1350005 ◽  
Author(s):  
STEFAN KLINKUSCH ◽  
TILLMANN KLAMROTH
Keyword(s):  
Wave Packet ◽  
Configuration Interaction ◽  
Molecular System ◽  
Wave Packets ◽  
Test System ◽  
Time Dependent ◽  
Basis Sets ◽  
Probe Laser ◽  
Experimental Realization ◽  
Pump Probe

In this paper, we report simulations of laser-driven many-electron dynamics by means of the time-dependent configuration interaction singles (TD-CIS) approach. Photoionization is included by a heuristic model within calculations employing standard Gaussian basis sets. Benzo[g]-N-methyl-quinolinium-7-hydroxylate (BMQ7H) serves as a test system to generate predefined wave packets, i.e. a superposition between the ground and fifth excited state, in a large molecule. For this molecule, these two states have a very similar geometry, which enables us to use the fixed nuclei approximation. Furthermore, this geometric stability would also prevent a dephasing of the electron wave packet due to nuclear dynamics in an experimental realization of our simulations. We also simulate the possible detection of such a wave packet by ultra short probe laser pulses, i.e. pump-probe spectra.

Time-dependent pump-probe spectra of NeBr2

2005 ◽  
Vol 123 (5) ◽  
pp. 054311 ◽  
Author(s):  
Jose A. Cabrera ◽  
Craig R. Bieler ◽  
Benjamin C. Olbricht ◽  
Wytze E. van der Veer ◽  
Kenneth C. Janda
Keyword(s):  
Time Dependent ◽  
Pump Probe

Time-resolved spectra of I2 in a krypton crystal by G-MCTDH simulations: nonadiabatic dynamics, dissipation and environment driven decoherence

2020 ◽  
Vol 221 ◽  
pp. 30-58 ◽  
Author(s):  
David Picconi ◽  
Irene Burghardt
Keyword(s):  
Quantum Dynamics ◽  
Time Dependent ◽  
High Dimensional ◽  
Nonadiabatic Dynamics ◽  
Time Resolved ◽  
Pump Probe

Time- and frequency-resolved pump-probe spectra of I2 in a krypton crystal are calculated and analyzed using high-dimensional multi-state quantum dynamics by the Gaussian-based multi-configuration time-dependent Hartree (G-MCTDH) method.

scholarly journals Using computational chemistry to design pump-probe schemes for measuring radical cation dynamics

2021 ◽  
Author(s):  
Hugo López Peña ◽  
Derrick Ampadu Boateng ◽  
Shane McPherson ◽  
Katharine Moore Tibbetts
Keyword(s):  
Potential Energy Surfaces ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Time Dependent ◽  
Excitation Wavelength ◽  
Functional Theory ◽  
Time Resolved ◽  
Pump Probe ◽  
Energy Surfaces ◽  
Electronic Potential

The electronic potential energy surfaces of nitrobenzene cation obtained from time-dependent density functional theory calculations are used to predict the most efficient excitation wavelength for femtosecond time-resolved mass spectrometry measurements....

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