نتایج جستجو برای: body interaction energy

تعداد نتایج: 1836832  

Journal: :Physical chemistry chemical physics : PCCP 2010
Angelika Baranowska Agnieszka Zawada Berta Fernández Wojciech Bartkowiak Dariusz Kedziera Anna Kaczmarek-Kedziera

A detailed analysis of the interaction-induced linear and non-linear axial static electric dipole properties and the interaction energy of the model HCHO(HF)(n) (n = 1, 2) complexes is carried out using the HF SCF, MP2, CCSD and CCSD(T) levels of approximation combined with a wide range of basis sets, namely the correlation-consistent basis sets of Dunning and co-workers, the polarization-consi...

2002
M. Honma T. Otsuka B. A. Brown

An effective interaction is derived for use in the full p f basis. Starting from a realistic G-matrix interaction, 195 two-body matrix elements and four single-particle energies are determined by fitting to 699 energy data in the mass range 47–66. The derived interaction successfully describes various structures of p f -shell nuclei. As examples, systematics of the energies of the first 2 state...

2002
Jonathan A. Brant Amy E. Childress

The contribution of acid–base (AB) (polar) interactions to the total interaction energy between membranes and colloids was investigated. The surface energetics of several membranes and colloids were evaluated using the Lifshitz–van der Waals acid-base approach. This provides the van der Waals (LW) and polar interaction energies between various surfaces from measurements of contact angles of dif...

2007
Kimball A. Milton Jef Wagner

Multiple scattering formulations have been recently rediscovered as a method of studying the quantum vacuum or Casimir interactions between distinct bodies. The methods are hardly new, but increased computing power and advances in understanding allow us to extract information efficiently. Here we review the method in the simple context of δ-function potentials, so-called semitransparent bodies....

1994
M. S. Fayache L. Zamick

The magnetic dipole strength and energy-weighted strength distribution is calculated in 8 Be, as well as the separate orbit and spin parts. All ∆N =2 excitations over and above (and including) the configuration 0s 4 0p 4 are included. The interaction has a central, two-body spin-orbit and a tensor part. The energy-independent and energy-weighted orbital strength distribution is remarkably insen...

2008
P. C. Stichel W. J. Zakrzewski

We show that the dynamical realization of the acceleration-enlarged Galilean symmetry leads to nonrelativistic massless particles whose energy may be negative. We present a fluid mechanical generalisation of this observation and use it to contruct a nonrelativistic twodimensional fluid model which possesses solutions with a negative energy density. Considering this model as describing dark ener...

Journal: :journal of physical & theoretical chemistry 2005
d.m boghaei a. bagheri

the interaction of dopamine and cysteine for formation of 5-s-cysteinyldopamine are investigated at thehartree-fock level theory. the structural and vibrational properties of 5-s-cysteinyldopamine are studiedat level of hf/6-31g*.interaction energy ( ae) is calculated -771.6923 kcal/mol rotational energy andthermodynamic parameters around two bond have been determined using hf/3-21g. changes of...

2009
KLAAS R. WESTERTERP

1/09 8 Alcohol forms a significant component of the diet in many countries. Nationwide studies indicate an average per capita consumption of about 10–30 gram per day or about 3–9% of the daily energy intake. In the United States, the per capita consumption of alcohol shifted from 1.3% of daily energy intake in 1965 to 4.5% of daily energy intake in 2002 (1). The efficiency with which alcohol en...

2008
J. L. Forest V. R. Pandharipande

Relativistic Hamiltonians are defined as the sum of relativistic one-body kinetic energy, twoand three-body potentials and their boost corrections. In this work we use the variational Monte Carlo method to study two kinds of relativistic effects in the binding energy of 3H and 4He. The first is due to the nonlocalities in the relativistic kinetic energy and relativistic one-pion exchange potent...

2002
Eric Braaten Thomas Mehen

We study a dilute Bose gas of atoms whose scattering length a is large compared to the range of their interaction. We calculate the energy density of the homogeneous Bose-Einstein condensate to second order in the lowdensity expansion, expressing it in terms of a and a second parameter Λ∗ that determines the low-energy observables in the 3-body sector. The secondorder correction to the energy d...

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