Numerical integration of the equations of motion for rigid polyatomics: The matrix method
نویسندگان
چکیده
منابع مشابه
Numerical integration of the equations of motion for rigid polyatomics: The matrix method
A new scheme for numerical integration of motion for classical systems composed of rigid polyatomic molecules is proposed. The scheme is based on a matrix representation of the rotational degrees of freedom. The equations of motion are integrated within the Verlet framework in velocity form. It is shown that, contrary to previous methods, in the approach introduced the rigidity of molecules can...
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برد عددی ماتریس مربعی a را با w(a) نشان داده و به این صورت تعریف می کنیم w(a)={x8ax:x ?s1} ، که در آن s1 گوی واحد است. در سال 2009، راسل کاردن مساله برد عددی معکوس را به این صورت مطرح کرده است : برای نقطه z?w(a)، بردار x?s1 را به گونه ای می یابیم که z=x*ax، در این پایان نامه ، الگوریتمی برای حل مساله برد عددی معکوس ارانه می دهیم.
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ژورنال
عنوان ژورنال: Computer Physics Communications
سال: 1998
ISSN: 0010-4655
DOI: 10.1016/s0010-4655(98)00024-1