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- Publications
- Influence
Strain fluctuations and elastic constants
- M. Parrinello, A. Rahman
- Chemistry
- 1 March 1982
It is shown that the elastic strain fluctuations are a direct measure of elastic compliances in a general anisotropic medium; depending on the ensemble in which the fluctuation is measured either the… Expand
Study of an F center in molten KCl
- M. Parrinello, A. Rahman
- Chemistry
- 15 January 1984
It is shown that a discretized version of Feynman’s path integral provides a convenient tool for the numerical investigation of the properties of an electron solvated in molten KCl. The binding… Expand
Statistical ensembles and molecular dynamics studies of anisotropic solids
We present a general discussion of the isoenthalpic–isostress molecular dynamics theories of Andersen and Parrinello–Rahman. The Parrinello–Rahman theory is shown to be applicable to the case of… Expand
Acoustic scattering by transversely isotropic cylinders
We study the scattering of an acoustic wave incident on a transversely isotropic cylinder immersed in a fluid. Scalar potentials are expanded in series of normal modes. This expansion changes in… Expand
Liquid Structure and Self‐Diffusion
- A. Rahman
- Physics
- 1 October 1966
The method of molecular dynamics has been used to study the structure of a liquid and its relation with the process of self‐diffusion.The particles around a given particle are separated into shells… Expand
Lattice gauge theory in the microcanonical ensemble
- David J. E. Callaway, A. Rahman
- Physics
- 15 September 1983
The microcanonical-ensemble formulation of lattice gauge theory proposed recently is examined in detail. Expectation values in this new ensemble are determined by solving a large set of coupled… Expand
Ionic motion in. cap alpha. -AgI
- P. Vashishta, A. Rahman
- Physics
- 15 May 1978
A molecular-dynamics study of silver diffusion in superionic conductor ..cap alpha..-AgI is performed. Interionic potentials are constructed using Pauling's ideas of ionic radii. The diffusion… Expand
Nonadditivity of ab initio pair potentials for molecular dynamics of multivalent transition metal ions in water
- L. A. Curtiss, J. Halley, J. Hautman, A. Rahman
- Chemistry
- 15 February 1987
Ab initio molecular orbital pair potentials for the interaction of Fe2+ and Fe3+ ions with H2O are reported. Molecular dynamics calculations of the static structure of the solvation shell of Fe2+ and… Expand
TIME EXPANSION OF CORRELATION FUNCTIONS AND THE THEORY OF SLOW NEUTRON SCATTERING
- B. Nijboer, A. Rahman
- Physics
- 1 February 1966
Abstract The velocity correlation function for a classical system of particles interacting with a two-particle potential is expanded in powers of t . The coefficients in this expansion are averages… Expand
INTERMEDIATE SCATTERING FUNCTION IN SLOW NEUTRON SCATTERING
- A. Rahman
- Physics
- 15 May 1963
The conditions under which the so-called intermediate scattering function occurring in the theory of slow neutron scattering and in the theory of the Mossbauer effect can be written in the form… Expand