A method for solving the hypernetted-chain approximation for molecular fluids
✍ Scribed by J.M. Caillol
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 288 KB
- Volume
- 121
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
We give a new analykal expansion or Ihe hypernetwd-chain closure relation in rorarionnl invariants Ior fluids or non-spherical molerules in IWO and three dimensions. The relrtions obtained are well suired for numerical calculaGms_ ' Laboraroire associt? au Cenrre Nalional de la Recherche Scientilique (3) 0 009-261.4/85/.S'O3.30
📜 SIMILAR VOLUMES
Molecular dynamics calculations of density profiles of a hard-sphere fluid between two hard walls are made for different fluid concentrations. The results are compared to results from the three-point extension hypemetted chain approximation. A good agreement is found.
## Abstract The paper presents a semi‐implicit algorithm for solving an unsteady fluid–structure interaction problem. The algorithm for solving numerically the fluid–structure interaction problems was obtained by combining the backward Euler scheme with a semi‐implicit treatment of the convection t
## Abstract The present article introduces a general variational scheme to find approximate solutions of the spectral problem for the molecular vibration Hamiltonian. It is called the “vibrational mean field configuration interaction” (VMFCI) method, and consists in performing vibrational configura