Thermodynamic integration: Difference between revisions

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Used to calculate the free energy difference between two states.
Used to calculate the difference in the [[Helmholtz energy function]] between two states.
The path must be ''continuous'' and ''reversible''.
The path must be ''continuous'' and ''reversible''.
One has a  continuously variable energy function <math>U_\lambda</math> such that
One has a  continuously variable energy function <math>U_\lambda</math> such that

Revision as of 16:22, 5 March 2007

Used to calculate the difference in the Helmholtz energy function between two states. The path must be continuous and reversible. One has a continuously variable energy function Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle U_{\lambda }} such that Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle \lambda =0} , Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle U_\lambda=U_0} and Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \lambda=1} , Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle U_\lambda=U}

Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \Delta A = A - A_0 = \int_0^1 d\lambda \langle\frac{\partial U_\lambda}{\partial \lambda}\rangle_{\lambda}}

where

Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \left.U_\lambda\right.=(1-\lambda)U_0 + \lambda U} .