Quantum Second Virial Coefficient Calculation for the4He Dimer on a Recent Potential
نویسندگان
چکیده
منابع مشابه
Ab initio interaction potential of methane and carbon dioxide: Calculation of second-virial coefficient
An interaction potential at different orientation for the CH4 and CO2 complex was derived at theB3LYP level of theory and 6-31+G* basis sets. The potential energy surface was computed on somemolecular geometries. The complete basis set limit of the interaction energies were fitted to wellknownanalytical functions. To determine the second virial coefficients B, U(r) is used to obtain themodel’s ...
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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...
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In a recent paper entitled “High temperature expansion applied to fermions near Feshbach resonance”, (Phys. Rev. Lett. 92 160404 (2004)), Ho and Mueller have demonstrated a remarkable similarity between its high and low temerature properties at resonance. The quantum second virial coefficient plays a crucial role in their analysis, and has a universal value at resonance. In this paper, we explo...
متن کاملab initio interaction potential of methane and carbon dioxide: calculation of second-virial coefficient
an interaction potential at different orientation for the ch4 and co2 complex was derived at theb3lyp level of theory and 6-31+g* basis sets. the potential energy surface was computed on somemolecular geometries. the complete basis set limit of the interaction energies were fitted to wellknownanalytical functions. to determine the second virial coefficients b, u(r) is used to obtain themodel’s ...
متن کاملHaldane exclusion statistics and second virial coefficient.
We show that Haldanes new definition of statistics, when generalised to infinite dimensional Hilbert spaces, is equal to the high temperature limit of the second virial coefficient. We thus show that this exclusion statistics parameter, g , of anyons is non-trivial and is completely determined by its exchange statistics parameter α. We also compute g for quasiparticles in the Luttinger model an...
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ژورنال
عنوان ژورنال: Journal of the Brazilian Chemical Society
سال: 2013
ISSN: 0103-5053
DOI: 10.5935/0103-5053.20130046