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Equation of State for PdH by a New Tight Binding Approach

Published online by Cambridge University Press:  10 February 2011

D. A. Papaconstantopoulos  and
M. J. Mehl
D. A. Papaconstantopoulos
Affiliation:
Complex Systems Theory Branch, Naval Research Laboratory, Washington, DC 20375-5320
M. J. Mehl
Affiliation:
Complex Systems Theory Branch, Naval Research Laboratory, Washington, DC 20375-5320
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Abstract

We present an extension of a newly proposed tight-binding method of calculating total energies and related quantities to the study of binary compounds. As an example, we discuss the equation of state of the palladium-hydrogen system.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 408: Symposium P – Materials Theory, Simulations, and Parallel Algorithms , 1995 , 31
Copyright
Copyright © Materials Research Society 1996

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