Time-dependent Emission Spectra from Molecular Wave Packets

1993 ◽  
Vol 4 (12) ◽  
pp. 39
Author(s):  
THOMAS J. DUNN ◽  
JOHN N. SWEETSER ◽  
IAN A. WALMSLEY ◽  
CZESLAW RADZEWICZ
Keyword(s):  
Wave Packets ◽  
Emission Spectra ◽  
Time Dependent

Time-dependent Emission Spectra from Molecular Wave Packets

1993 ◽  
Vol 4 (12) ◽  
pp. 39_1
Author(s):  
THOMAS J. DUNN ◽  
JOHN N. SWEETSER ◽  
IAN A. WALMSLEY ◽  
CZESLAW RADZEWICZ
Keyword(s):  
Wave Packets ◽  
Emission Spectra ◽  
Time Dependent

The impact of time-dependent stellar activity on the atmospheric chemistry and observability of exoplanets

2021 ◽  
Author(s):  
Amy Louca ◽  
Yamila Miguel ◽  
Shang-Min Tsai
Keyword(s):  
Atmospheric Chemistry ◽  
Emission Spectra ◽  
Time Dependent ◽  
Radiative Transfer Model ◽  
Transfer Model ◽  
Stellar Spectrum ◽  
Stellar Spectra ◽  
Chemical Tracers ◽  
Atmospheric Escape ◽  
The Impact

<p class="p1">Observations of exoplanets used to characterize the chemistry and dynamics of atmospheres have developed considerably throughout the years. Nonetheless, it remains a difficult task to give a full and detailed description using solely observations. With future space missions such as JWST and ARIEL, both expected to be launched within this decade, it becomes even more crucial to be able to fully explain and predict the underlying chemistry and physics involved. In this research, we focus on modeling star-planet interactions by using synthetic flare spectra to predict chemical tracers for future missions. We make use of a chemical kinetics code that includes synthetic time-dependent stellar spectra and thermal atmospheric escape to simulate the atmospheres of known exoplanets. Using a radiative transfer model we then retrieve emission spectra. This ongoing study is focused on various known planetary systems of which the stellar spectrum has been obtained by the (mega-)MUSCLES collaboration. Preliminary results on these systems show that stellar flares and thermal escape can have a significant effect on the chemistry in atmospheres. </p>

Theoretical investigation of the electronic structure and photophysical properties of a series of Ir(iii) complexes bearing pentafluorosulfanyl groups

2019 ◽  
Vol 43 (25) ◽  
pp. 9916-9923 ◽  
Author(s):  
Jing Gao ◽  
Xin Li ◽  
Deming Han ◽  
Jiawei Li ◽  
Xiaohong Shang
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Theoretical Investigation ◽  
Density Functional ◽  
Photophysical Properties ◽  
Emission Spectra ◽  
Time Dependent ◽  
Functional Theory ◽  
Ancillary Ligands ◽  
Dependent Density

The electronic structure, absorption and emission spectra, charge injection/transport ability and phosphorescence quantum efficiency of a series of cyclometalated iridium(iii) complexes with different ancillary ligands are studied using density functional theory (DFT) and time-dependent density functional theory (TDDFT) methods.

scholarly journals DYNAMICS OF GENERALIZED COHERENT STATES

1995 ◽  
Vol 09 (13) ◽  
pp. 823-828 ◽  
Author(s):  
SALVATORE DE MARTINO ◽  
SILVIO DE SIENA ◽  
FABRIZIO ILLUMINATI
Keyword(s):  
Coherent States ◽  
Wave Packets ◽  
Classical Trajectory ◽  
Feedback Mechanism ◽  
The State ◽  
Time Dependent ◽  
Generalized Coherent States ◽  
Classical Evolution

We show that generalized coherent states follow Schrödinger dynamics in time-dependent potentials. The normalized wave-packets follow a classical evolution without spreading; in turn, the Schrödinger potential depends on the state through the classical trajectory. This feedback mechanism with continuous dynamical re-adjustment allows the packets to remain coherent indefinitely.

Time-dependent tunneling of electron wave packets in a transverse magnetic field

1989 ◽  
Vol 39 (12) ◽  
pp. 8322-8335 ◽  
Author(s):  
F. Ancilotto ◽  
A. Selloni ◽  
L. F. Xu ◽  
E. Tosatti
Keyword(s):  
Magnetic Field ◽  
Transverse Magnetic Field ◽  
Wave Packets ◽  
Transverse Magnetic ◽  
Time Dependent ◽  
Electron Wave

TOPOLOGICAL EFFECTS IN QUANTUM MECHANICS AND HIGH VELOCITY ESTIMATES

2011 ◽  
Vol 20 (05) ◽  
pp. 951-961 ◽  
Author(s):  
RICARDO WEDER
Keyword(s):  
Exact Solution ◽  
Quantum Mechanics ◽  
Error Bounds ◽  
High Velocity ◽  
Wave Packets ◽  
Finite Energy ◽  
Time Dependent ◽  
Rigorous Proof ◽  
Bohm Effect ◽  
Aharonov Bohm

We consider the problem of obtaining high-velocity estimates for finite energy solutions (wave packets) to Schrödinger equations for N-body systems. We discuss a time-dependent method that allows us to obtain precise estimates with error bounds that decay as a power of the velocity. We apply this method to the electric Aharonov–Bohm effect. We give the first rigorous proof that quantum mechanics predicts the existence of this effect. Our result follows from an estimate in norm, uniform in time, that proves that the Aharonov–Bohm Ansatz is a good approximation to the exact solution to the Schrödinger equation for high velocity.

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.

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