نتایج جستجو برای: lennard jones potential

تعداد نتایج: 1081724  

2013
M. Sorg

A geometric description of the Lienard-Wiechert field of a single point charge is given. The dual of the Lienard-Wiechert field can be considered as the curvature in a bundle of 2-planes distributed smoothly over space-time. This geometric construction also accounts for the Teitelboim splitting of the total field into bound and radiative parts: The radiation field can be identified with the cur...

2007
Norihiro Kamide

We investigate cut-eliminability and decidability for implicational sequent calculi with prime contraction. The prime contraction is a restricted version of the contraction rule in LJ (the rule does not permit the contraction of implication formulas). Decision problems for the implicational sequent calculi LBB′IW (the system for the logic BB′IW) and FLc→ (the implicational fragment of the full ...

2012
C. Hoheisel

For the metallic glass NigIB|9 the partial pair-distribution functions are determind up to 14Ä by a molecular dynamics simulation using effective Lennard-Jones potentials. The obtained pair-distribution functions are in good agreement with the measured ones. As the simulation was carried out at the thermodynamic conditions for a liquid, we conclude that the characteristic features of the struct...

2013
G. Royer E. Zarrouk

Within a rotational liquid drop model including the nuclear proximity energy the l-dependent potential barriers governing the capture reactions of light nuclei and of very heavy ions have been determined. Rotating quasi-molecular hyperdeformed states appear at high angular momenta. The energy range of these very deformed high spin states is given for light systems. The same approach explains th...

2012
Yosuke KATAOKA Yuri YAMADA

Three-phase equilibrium in argon was obtained based on the thermodynamics of a perfect solid and a perfect liquid (v2). The equation of state (EOS) for a perfect solid was obtained from our previous study of a pure substance using spherical molecules. The EOS for a perfect liquid is a van der Waals EOS with the Carnahan-Starling repulsion term to explain 3-phase equilibrium. The Lennard-Jones p...

1997
Uwe Egly

In this paper, we investigate translations from a classical cut-free sequent calculus LK into an intuitionistic cut-free sequent calculus LJ. Translations known from the literature rest on permutations of inferences in classical proofs. We show that, for some classes of rst-order formulae, all minimal LJ-proofs are non-elementary but there exist short LK-proofs of the same formula. Similar resu...

2008
HOLGER REICH

We introduce the Farrell-Jones Conjecture with coefficients in an additive category with G-action. This is a variant of the Farrell-Jones Conjecture about the algebraic Kor L-Theory of a group ring RG. It allows to treat twisted group rings and crossed product rings. The conjecture with coefficients is stronger than the original conjecture but it has better inheritance properties. Since known p...

Journal: :Acta Cybern. 2005
Tamás Vinkó

A general method for obtaining minimal interatomic distance in molecule conformation problems is introduced. The method can be applied to a wide family of potential energy functions having reasonable properties. Using this method new lower bounds for the minimal inter-particle distance for the optimal Lennard-Jones and Morse potential functions are derived which are independent from the number ...

Journal: :Physical Chemistry Chemical Physics 2020

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