Time-dependent quantum fluid density functional theory of hydrogen molecule under intense laser fields |
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Authors: | Amita Wadehra and B M Deb |
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Institution: | (1) Department of Physics, Ohio State University, Columbus, OH 43210, USA;(2) Indian Institute of Science Education and Research, HC-VII, Sector III, Salt Lake, Kolkata, 700 106, India |
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Abstract: | A time-dependent generalized non-linear Schr?dinger equation (GNLSE) of motion was earlier derived in our laboratory by combining
density functional theory and quantum fluid dynamics in three-dimensional space. In continuation of the work reported previously,
the GNLSE is applied to provide additional knowledge on the femtosecond dynamics of the electron density in the hydrogen molecule
interacting with high-intensity laser fields. For this purpose, the GNLSE is solved numerically for many time-steps over a
total interaction time of 100 fs, by employing a finite-difference scheme. Various time-dependent (TD) quantities, namely,
electron density, ground-state survival probability and dipole moment have been obtained for two laser wavelengths and four
different intensities. The high-order harmonics generation (HHG) is also examined. The present approach goes beyond the linear
response formalism and, in principle, calculates the TD electron density to all orders of change.
Dedicated to Prof. D Mukherjee on his 60th birthday |
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Keywords: | Hydrogen molecule intense laser fields femtosecond dynamics time-dependent density density functional theory quantum fluid dynamics |
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