کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
9578198 1505197 2005 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
A variational solution of the time-dependent Schrodinger equation by a restricted superposition of frozen Gaussian wavepackets
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
A variational solution of the time-dependent Schrodinger equation by a restricted superposition of frozen Gaussian wavepackets
چکیده انگلیسی
We present a variational solution of the time-dependent Schrodinger equation formed from a restricted superposition of frozen Gaussian wavepackets. The trial function is comprised of a set of frozen Gaussian wavepackets and a set of three time-dependent variational parameters. The trial wavefunction is subjected to the McLachlan variational principle which leads to a set of equations for the optimal time-evolution of the variational parameters. We present numerical results for the time-evolution of the trial wavefunction on a single-dimensional anharmonic potential energy and compare to the results to the exact time-evolution. Finally, we derive a multi-dimensional generalization of the algorithm.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics Letters - Volume 407, Issues 4–6, 27 May 2005, Pages 308-314
نویسندگان
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