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Improvement of Wave Packet Molecular Dynamics Using Packet Splitting
Author(s) -
Morozov I. V.,
Valuev I. A.
Publication year - 2012
Publication title -
contributions to plasma physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.531
H-Index - 47
eISSN - 1521-3986
pISSN - 0863-1042
DOI - 10.1002/ctpp.201100105
Subject(s) - wave packet , ionization , molecular dynamics , gaussian , network packet , electron , laser , quantum , hydrogen atom , flexibility (engineering) , atomic physics , physics , statistical physics , computational physics , computer science , materials science , quantum mechanics , ion , mathematics , computer network , statistics , group (periodic table)
The method of Wave Packet Molecular Dynamics Method (WPMD) is a promising replacement of the classical molecular dynamics for the simulations of many‐electron systems including nonideal plasmas. In this contribution we report on a packet splitting technique where an electron is represented by multiple Gaussians, with mixing coefficients playing the role of additional dynamic variables. It provides larger flexibility and better accuracy than the original WPMD with a single Gaussian per electron. As a test case we consider ionization of hydrogen atom in a short laser pulse, where the split packets provide a basis for quantum branching (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)