International Research journal of Management Science and Technology

  ISSN 2250 - 1959 (online) ISSN 2348 - 9367 (Print) New DOI : 10.32804/IRJMST

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ROLE OF COMPUTER SIMULATION IN CHEMISTRY

    2 Author(s):  LAXMI NARWAL, PARTEEK SEHRAWAT

Vol -  8, Issue- 6 ,         Page(s) : 81 - 85  (2017 ) DOI : https://doi.org/10.32804/IRJMST

Abstract

Many-body problems are ubiquitous in physics, chemistry, biology, and materials science. Simulations provide a very powerful way of solving these problems, enabling one to go directly from a microscopic Hamiltonian to macroscopic properties measured in experiment, essentially without approximation. We hope to convince you of this! Some of the reasons why simulations have become so important are: Other general methods for many-body problems involve approximations. In the continuum, a two body problem can be solved analytically. There is no exact solution for more than two bodies.

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