Title of article
Simulation of quantum systems using path integrals in a generalized ensemble
Author/Authors
Ioan Andricioaei and Timothy A. Springer، نويسنده , , Ioan and Straub، نويسنده , , John E. and Karplus، نويسنده , , Martin، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2001
Pages
9
From page
274
To page
282
Abstract
The possibility of using path-integral simulations in a generalized ensemble based on the Tsallis statistics is explored. The primitive model algorithm with the Tsallis ensemble replacing the canonical ensemble converges to the quantum-mechanical result with a smaller number of beads in the isomorphic chain. Examples considered are the harmonic oscillator, two double-well systems and a double-well system immersed in an adiabatic solvent.
Journal title
Chemical Physics Letters
Serial Year
2001
Journal title
Chemical Physics Letters
Record number
1777846
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