Author pages are created from data sourced from our academic publisher partnerships and public sources.

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

508 8

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

456 7

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

201 3

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

42 3

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

168 2

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

45 2

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

244 1

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

113 1

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

129 1

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

14 1