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Chemical Physics papers — page 6

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Comparison of electron density functional models
Presented here are calculations of the distortion of the density of an electron gas due to the electrostatic field of a proton. Several models based upon the local density approximation (LDA) of…
Gary G. Hoffman, Lawrence R. PrattMar 9, 1994
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Monte Carlo Studies of the Orientational Order-Disorder Phase Transition in Solid Ammonium Chloride
Monte Carlo methods are used to study the phase transition in ammonium chloride from the orientationally ordered δ phase to the orientationally disordered γ phase. An effective pair potential is…
Robert Q. Topper, David L. FreemanMar 8, 1994
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Stability of the Hydrogen and Hydrogen-like Molecules
We present a simple proof of the stability of the hydrogen molecule (M+M+m-m-). It does not rely on the proton-to-electron mass ratio M/m being very large, and actually holds for arbitrary…
Jean-Marc RichardMar 8, 1994
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Fourier Path Integral Monte Carlo Method for the Calculation of the Microcanonical Density of States
Using a Hubbard-Stratonovich transformation coupled with Fourier path integral methods, expressions are derived for the numerical evaluation of the microcanonical density of states for quantum…
David L. Freeman, J. D. DollMar 8, 1994
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