References
- Gray , C.G. and Gubbins , K.E. 1982 . Theory of Molecular Fluids , OUP .
- Wertheim , M.S. 1973 . Molec. Phys. , 26 : 1425 – 1425 . 1977, Ibid., 33, 95.
- Smith , W.R. and Henderson , D. 1978 . J. chem. Phys. , 69 : 319 – 319 .
- Gray , C.G. and Henderson , R.L. 1978 . Can. J. Phys. , 56 : 571 – 571 . 1979, Ibid., 57, 1605. Further numerical results for quadrupolar LJ molecules, and comparison with perturbation theory, can be found in: Murad, S., Gubbins, K. E., and Gray, C. G., 1979, Chem. Phys. Lett., 65, 187.
- Patey , G.N. 1977 . Molec. Phys. , 34 : 427 – 427 . 1978, Ibid., 35, 1413.
- Levesque , D. , Patey , G.N. and Weis , J.J. 1977 . Molec. Phys. , 34 : 1077 – 1077 .
- Patey , G.N. , Levesque , D. and Weis , J.J. 1979 . Molec. Phys. , 38 : 219 – 219 . 1635. Strictly speaking, there are further contributions to u(12)—in particular, anisotropic dispersion interactions. However, the principles we wish to discuss are illustrated sufficiently well by consideration of the model potential (1.11).
- See Gray C.G. Gubbins K.E. Twu C.H. J. chem. Phys. 1978 69 182 182 and references quoted therein
- For a review, see McDonald I.R. Hansen J.P. Theory of Simple Liquids Academic Press 1976
- Wertheim , M.S. 1967 . J. Math. Phys. , 8 : 927 – 927 . (b) Stell, G., 1963, Physica, 29, 517.
- Perram , J.W. and White , L.R. 1974 . Molec. Phys. , 27 : 527 – 527 .
- Smith , W.R. 1974 . Can. J. Phys. , 52 : 2022 – 2022 . 1976, Chem. Phys. Lett., 40, 312.
- Lado , F. 1971 . J. comput. Phys. , 8 : 417 – 417 . Thus our numerical method contrasts with Patey's [5–7] in its treatment of jı-transforms, l > 0. Patey transforms the h(l 1 l 2 l; r) and c(l 1 l 2 l; r) harmonics to related functions introduced by Wertheim [21] defined in such a way that the Fourier transform of these latter functions is equal to the relevant jı-transform of h(l 1 l 2 l; r) and c(l 1 l 2 l; r).
- Goldman , S. 1979 . J. phys. Chem. , 83 : 3033 – 3033 . The Goldman formula is a ‘best’ statistical fit of available MD data to an analytic functional form. For the state condition reported in this paper, some smoothing of the Goldman g 0(r) was necessary at r ≅ σ and r ≅ 1·8σ. The resulting g 0(r) is within the uncertainty of the MD results.
- For low density site-site model fluids Chen Y.D. Steele W.A. J. chem. Phys. 1969 50 1428 1428 solved the PY approximation using RF harmonics in both the OZ and the closure relations.
- For fluids with hard cores, these forms are not equivalent. For a detailed discussion, see Stell Stell G. Physica 1963 29 517 517
- Rose , M.E. 1957 . Elementary Theory of Angular Momentum , J. Wiley & Sons .
- Gray , C.G. and Van Kranendonk , J. 1966 . Can. J. Phys. , 44 : 2411 – 2411 . Gray, C. G., 1968, Can. J. Phys., 46, 135.
- Wertheim , M.S. 1971 . J. chem. Phys. , 55 : 4291 – 4291 .
- Blum , L. and Torruella , J. 1972 . J. chem. Phys. , 56 : 303 – 303 . Blum, L., 1972, J. chem. Phys., 57, 1862.
- Wang , S.S. , Gray , C.G. and Egelstaff , P.A. 1973 . Chem. Phys. Lett. , 21 : 123 – 123 .
- Gubbins , K.E. and Gray , C.G. 1972 . Molec. Phys. , 23 : 187 – 187 .
- Haile , J.M. and Gray , C.G. 1980 . Chem. Phys. Lett. , 76 : 583 – 583 .
- Equation (4.4) corresponds to retaining those terms linear in fpert(12) which do not depend on the reference fluid triplet correlation functions. Equation (4.4) is sometimes referred to in the literature as zeroth order RAM perturbation theory (e.g. Nezbeda I. Smith W.R. J. chem. Phys. 1981 75 4060 4060
- Lado , F. 1974 . J. chem. Phys. , 60 : 1686 – 1686 . 1973, Phys. Rev. A, 8, 2548; 1964, Phys. Rev., 125, 1013.