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Spherical‐harmonics expansion method for density‐matrix simulations of quantum electron dynamics in continuum states
Author(s) -
Kitamura Hikaru
Publication year - 2015
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.24988
Subject(s) - density matrix , physics , ionization , quantum , quantum dynamics , electron , spherical harmonics , time evolution , quantum mechanics , atomic physics , harmonics , bound state , ion , voltage
Spherical‐harmonics expansion method is proposed to solve the quantum time‐evolution equations for density matrices numerically in momentum space. This method facilitates efficient real‐time simulations of quantum electron dynamics in continuum states through extension of our previous formalism developed for discrete states. Numerical accuracy and efficiency are demonstrated through two examples: (i) multiphoton ionization of a one‐electron atom in intense laser field, and (ii) real‐time dynamics of plasma oscillations in electron liquids. In case (i), coupled dynamics of density matrices for bound and continuum states reveals an enhancement of multiphoton ionization over the Keldysh approximation through resonant intermediate states. © 2015 Wiley Periodicals, Inc.