Angular dependence of strong field ionization of N2 by time-dependent configuration interaction using density functional theory and the Tamm-Dancoff approximation

2019 ◽  
Vol 151 (5) ◽  
pp. 054102 ◽  
Author(s):  
Paul Hoerner ◽  
Mi Kyung Lee ◽  
H. Bernhard Schlegel
Keyword(s):  
Density Functional Theory ◽  
Angular Dependence ◽  
Configuration Interaction ◽  
Density Functional ◽  
Strong Field ◽  
Time Dependent ◽  
Field Ionization ◽  
Functional Theory ◽  
Strong Field Ionization

scholarly journals Time-dependent density-functional theory of strong-field ionization of atoms by soft x rays

2014 ◽  
Vol 90 (3) ◽  
Author(s):  
A. Crawford-Uranga ◽  
U. De Giovannini ◽  
E. Räsänen ◽  
M. J. T. Oliveira ◽  
D. J. Mowbray ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Strong Field ◽  
Time Dependent ◽  
Field Ionization ◽  
X Rays ◽  
Functional Theory ◽  
Strong Field Ionization ◽  
Dependent Density

Angle-dependent strong-field ionization of triple bonded systems calculated by time-dependent configuration interaction with an absorbing potential

2016 ◽  
Vol 94 (12) ◽  
pp. 989-997 ◽  
Author(s):  
Qing Liao ◽  
Wen Li ◽  
H. Bernhard Schlegel
Keyword(s):  
Angular Dependence ◽  
Configuration Interaction ◽  
Strong Field ◽  
Population Analysis ◽  
Three Dimensional ◽  
Time Dependent ◽  
Molecular Axis ◽  
Field Ionization ◽  
Ionization Yield ◽  
Strong Field Ionization

The angle dependence of strong field ionization has been studied for a set of molecules containing triple bonds: HCCH, HCN, HCC–CN, H2N–CCH, H2N–CN, and H2N–CC–CN. Time-dependent configuration interaction (TDCI) with a complex absorbing potential was used to model strong field ionization by a linearly polarized seven-cycle 800 nm cosine squared pulse. The ionization yields have been calculated as a function of the laser intensity and polarization direction and plotted as three-dimensional surfaces. At low field strengths, the angular dependence can be understood in terms of ionization from the highest occupied orbitals. At higher laser intensities, ionization occurs from lower lying orbitals as well as from the highest occupied orbitals, as indicated by changes in the angular dependence of the ionization yield and by variations in the population analysis of the TDCI wavefunction with the intensity of the laser field. The ionization yield for directions parallel to the molecular axis increases more rapidly than perpendicular to the axis as the conjugation length is increased. NH2 substitution substantially increases the ionization yield along the molecular axis but has only a small effect for perpendicular directions.

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