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Attosecond quantum fluid dynamics of H 2 molecule in a strong time‐dependent magnetic field
Author(s) -
. Vikas
Publication year - 2011
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.22516
Subject(s) - attosecond , physics , magnetic field , quantum dynamics , quantum , atomic physics , field (mathematics) , molecule , quantum mechanics , laser , mathematics , pure mathematics , ultrashort pulse
Quantum fluid dynamics of hydrogen molecule evolving in a strong time‐dependent magnetic field of order >10 9 G, at internuclear separation R = 1.4 a.u., is presented in a parallel internuclear and magnetic field axis configuration. Time‐dependent density functional computations are performed through a generalized nonlinear time‐dependent Schrödinger equation, which is based on a quantum fluid dynamics approach. The computations reveal interesting dynamics, taking place on the attosecond timescale, in the time‐dependent electronic charge‐density distribution of hydrogen molecule. A distinctive feature of these dynamics is the field‐dependent crossing between different spin‐states as observed in the time‐independent studies of hydrogen molecule in strong static magnetic fields. These crossovers are further elaborated in relevance to the transitions observed in the behavior of correlation energy and exchange energy of hydrogen molecule with magnetic field strength in real‐time. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011