Numerical analyses of singularity in the integral equation of theory of liquids in the RISM approximation

An approach to evaluation of a parametric portrait of integral equations of the theory of liquids in the RISM approximation was proposed. To obtain all associated solutions the continuation method was used. The equations reduced to a two-centered molecule model for symmetry reasons were deduced for...

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Bibliographic Details
Main Authors: Egor Vasilievich Sobolev, Dmitrii A. Tikhonov
Format: Article
Language:Russian
Published: Institute of Computer Science 2010-03-01
Series:Компьютерные исследования и моделирование
Subjects:
Online Access:http://crm.ics.org.ru/uploads/crm/crm2010-1/crm10107.pdf