نتایج جستجو برای: effective pair potential

تعداد نتایج: 1765452  

Journal: :Journal of Chemical Physics 2021

Neural networks (NNs) are employed to predict equations of state from a given isotropic pair potential using the virial expansion pressure. The NNs trained with data molecular dynamics simulations monoatomic gases and liquids, sampled in NVT ensemble at various densities. We find that provide much more accurate results compared analytic low-density limit estimate second coefficient Carnahan–Sta...

F. Mollaamin M. Khaleghian M. Monajjemi R. Faham

HF level of ab initio calculations with basis-set 6-31G including full counterpoise correction hasbeen applied to compute the AspHis potential with the Ser and HisSer potential with the Asp inAspHisSer trimer. The potential energy surface has a minimum of -16.765 kcal/mol in R1=1.912nm and R2=2.719 nm. The optimum computed curves for two interactions were fitted withintermolecular pair potentia...

2006
Marco Cardoso Pedro Bicudo Pedro D. Sacramento

We apply the Bogoliubov-de Gennes equations to the confinement of a monopole-antimonopole pair in a superconductor. This is related to the problem of a quark-antiquark pair bound by a confining string, consisting of a colour-electric flux tube, dual to the magnetic vortex of type-II superconductors. We study the confinement of the field lines due to the superconducting state and calculate the e...

Journal: :iranian journal of radiology 0
raman rajesh department of radiodiagnosis, jss medical college, india +91-9481822984, [email protected]; department of radiodiagnosis, jss medical college, india +91-9481822984, [email protected] dhiman s. dalip department of radiodiagnosis, indira gandhi medical college, india jhobta anupam department of radiodiagnosis, indira gandhi medical college, india azad jaisiram department of radiodiagnosis, indira gandhi medical college, india

conclusion pair therapy is an effective minimally invasive treatment for gharbi type i-iii hepatic hydatid cysts. it is a cost effective and safe procedure with significant reduction in the duration of hospital stay. results ten patients (66.7%) had gharbi type i cysts, two (13.3%) had type ii and three (20%) had type iii cysts. all the patients (100%) showed reduction in cyst size over a 3-6 m...

2008
Masahiro Kawasaki Fuminobu Takahashi T. T. Yanagida

We show that the gravitino-overproduction problem is prevalent among inflation models in supergravity. An inflaton field generically acquires (effective) non-vanishing auxiliary field, if the Kähler potential is non-minimal. The inflaton field then decays into a pair of the gravitinos, thereby severely constraining many of the inflation models especially in the case of the gravity-mediated SUSY...

2005
Leonid Koralov

Given a potential of pair interaction and a value of activity, one can consider the Gibbs distribution in a finite domain Λ ⊂ Z. It is well known that for small values of activity there exist the infinite volume (Λ → Z) limiting Gibbs distribution and the infinite volume correlation functions. In this paper we consider the converse problem we show that given ρ1 and ρ2(x), where ρ1 is a constant...

2016
Fausto Borgonovi Dima Shepelyansky

We study the effect of coherent propagation of two interacting partiales in an effective 2-3-d disordered potential. Ouf numerical data demonstrate that in dimension d > 2, interaction can lead to two-partides delocalization below one-partiale delocahzation border. We aise find that the distance between the two delocalized partiales (pair

Journal: :Physical review. E, Statistical, nonlinear, and soft matter physics 2003
N G Almarza E Lomba

In this work we present an efficient procedure to evaluate effective pair potentials compatible with "experimental" distribution functions using a Monte Carlo simulation scheme. Using computer simulation results for the pair distribution functions, we have applied the method to a Lennard-Jones fluid and to a model of liquid aluminum. In both cases the procedure was able to recover with high acc...

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