New integral equation for the triplet distribution function
| Autor: | M Puoskari, A Kallio |
|---|---|
| Rok vydání: | 1988 |
| Předmět: |
Canonical ensemble
Physics Mathematical analysis Function (mathematics) Condensed Matter Physics Radial distribution function Integral equation Atomic and Molecular Physics and Optics symbols.namesake Superposition principle Distribution function Quantum mechanics Gaussian integral symbols Verlet integration Mathematical Physics |
| Zdroj: | Physica Scripta. 38:516-525 |
| ISSN: | 1402-4896 0031-8949 |
| Popis: | We apply the hypernetted chain theory (HNC) of inhomogeneous systems in the canonical ensemble to derive a new integral equation for the function that corrects the superposition approximation of the triplet distribution function of the homogeneous system. The equation turns out to be an extension of the HNCII equation derived by Verlet with the functional Taylor-expansion technique. A truncation of the new integral equation satisfies the sequential relation for triplet distribution functions far better than the truncated Abe-Stell density-cluster expansions. The method applies to both quantum and classical cases. The theory is used to calculate the triplet distribution function of liquid 4He for equilateral and some isosceles configurations. A possibility to calculate the elementary diagrams (or the bridge function) in the HNC theory of the pair distribution function for liquid 4He are thereafter evaluated with the new HNCII theory and the results are compared to the molecular dynamics simulation data. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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