An efficient implementation of two-component relativistic exact-decoupling methods for large molecules
نویسندگان
چکیده
منابع مشابه
development and implementation of an optimized control strategy for induction machine in an electric vehicle
in the area of automotive engineering there is a tendency to more electrification of power train. in this work control of an induction machine for the application of electric vehicle is investigated. through the changing operating point of the machine, adapting the rotor magnetization current seems to be useful to increase the machines efficiency. in the literature there are many approaches wh...
15 صفحه اولnano-rods zno as an efficient catalyst for the synthesis of chromene phosphonates, direct amidation and formylation of amines
چکیده ندارد.
On Two Methods for Computing the Non-Rigid Group of Molecules
In this paper, two methods are described, by means of which it is possible to calculate the non rigid group of molecules consisting of a number of XH3 groups attached to a rigid framework. The first method is a combination of the wreath product formalism of Balasubramanian and modern computer algebra and the second method is a computational approach by using group theory package GAP. We apply t...
متن کاملDecelerating relativistic two-component jets
Transverse stratification is a common intrinsic feature of astrophysical jets. There is growing evidence that jets in radio galaxies consist of a fast low density outflow at the jet axis, surrounded by a slower, denser, extended jet. The inner and outer jet components then have a different origin and launching mechanism, making their effective inertia, magnetization, associated energy flux and ...
متن کاملRealLib: an Efficient Implementation of Exact Real Arithmetic
This paper is an introduction to the RealLib package for exact real number computations. The library provides certified accuracy, but tries to achieve this at performance close to the performance of hardware floating point for problems that do not require higher precision. The paper gives the motivation and features of the design of the library and compares it to other packages for exact real a...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2013
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.4803693