Invariant expansion. IV. The exponentials of tensorial expressions
- 15 October 1988
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 89 (8) , 4976-4980
- https://doi.org/10.1063/1.455640
Abstract
The expansion of the exponential of a tensorial expression such as the interaction or pair correlation function between two nonspherical molecules 1, 2 is of the form ∑mnl λmnlΦmnl(12), where Φmnl(12) are invariant tensorial expressions that depend only on the orientation of 1 and 2. The generating function e−∑mnl λmnlΦmnl =∑pqt ipqt(λ) Φpqt defines a generalized Bessel function (GBF). We discuss integral representations and recurrence relations for the GBF. The first GBFs for dipolar and linear quadrupolar exponents, which are of interest in the theory of ionic solutions are computed explicitly.Keywords
This publication has 16 references indexed in Scilit:
- On the molecular theory of aqueous electrolyte solutions. I. The solution of the RHNC approximation for models at finite concentrationThe Journal of Chemical Physics, 1988
- The solution of the hypernetted chain and Percus–Yevick approximations for fluids of hard nonspherical particles. Results for hard ellipsoids of revolutionThe Journal of Chemical Physics, 1987
- A method for solving the hypernetted-chain approximation for molecular fluidsChemical Physics Letters, 1985
- The solution of the hypernetted-chain approximation for fluids of nonspherical particles. A general method with application to dipolar hard spheresThe Journal of Chemical Physics, 1985
- Solvation energy of ions in dipolar solventsThe Journal of Chemical Physics, 1983
- Fluids of hard diatomic molecules. IThe Journal of Chemical Physics, 1983
- A non-linear truncation scheme for the Ornstein-Zernike equation for dipolar fluidsMolecular Physics, 1982
- The statistical mechanics of ion-dipole-tetrahedral quadrupole mixturesMolecular Physics, 1981
- The use of a site-centred coordinate system in the statistical mechanics of site-interaction molecular fluidsChemical Physics Letters, 1981
- The description of bimolecular potentials, forces and torques: theSand V function expansionsMolecular Physics, 1978