کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
502200 863688 2016 11 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Fast GPU-based calculations in few-body quantum scattering
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Fast GPU-based calculations in few-body quantum scattering
چکیده انگلیسی

A principally novel approach towards solving the few-particle (many-dimensional) quantum scattering problems is described. The approach is based on a complete discretization of few-particle continuum and usage of massively parallel computations of integral kernels for scattering equations by means of GPU. The discretization for continuous spectrum of few-particle Hamiltonian is realized with a projection of all scattering operators and wave functions onto the stationary wave-packet basis. Such projection procedure leads to a replacement of singular multidimensional integral equations with linear matrix ones having finite matrix elements. Different aspects of the employment of multithread GPU computing for fast calculation of the matrix kernel of the equation are studied in detail. As a result, the fully realistic three-body scattering problem above the break-up threshold is solved on an ordinary desktop PC with GPU for a rather small computational time.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computer Physics Communications - Volume 204, July 2016, Pages 121–131
نویسندگان
, , , ,