Monte Carlo in the microcanonical ensemble: Difference between revisions
| Line 8: | Line 8: | ||
the potential energy (function of the position coordinates) | the potential energy (function of the position coordinates) | ||
Let <math> \left. E \right. </math> be the total energy of the system. | |||
The probability, <math> \left. \Pi \right. </math> of a given position configuratiom <math> \left. X^{3N} \right. </math>, with potential energy | |||
<math> U \left( X^{3N} \right) </math> can be written as: | |||
: <math> \Pi \left( X^{3N}|E \right) \propto | |||
\int d P^{3N} \delta \left[ K(P^{3N}) | |||
- \Delta E \right] | |||
</math> ; (Eq. 1) | |||
where <math> \left. P^{3N} \right. </math> stands for the 3N momenta, and | |||
: <math> \Delta E = E - U\left(X^{3N}\right) </math> | |||
The Integral in the right hand side of Eq. 1 corresponds to the surface of a 3N-dimensional hyper-sphere of radious | |||
<math> r = \left. 2 m \Delta E \right. </math> ; | |||
Therefore: | |||
:<math> \Pi \left( X^{3N}|E \right) \propto \left[ E- U(X^{3N}) \right]^{3N-1} | |||
</math> | |||
PEOPLE AT WORK, SORRY FOR ANY INCONVENIENCE | PEOPLE AT WORK, SORRY FOR ANY INCONVENIENCE | ||
Revision as of 16:37, 28 February 2007
Integration of the kinetic degrees of freedom
Considering a system of identical particles, with total energy 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. H \right. } given by:
- 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 H = \sum_{i=1}^{3N} \frac{p_i^2}{2m} + U \left( X^{3N} \right). }
where the first term on the right hand side is the kinetic energy, whereas the second one is the potential energy (function of the position coordinates)
Let 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. E \right. } be the total energy of the system.
The probability, 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. \Pi \right. } of a given position configuratiom 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. X^{3N} \right. } , with potential energy 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 \left( X^{3N} \right) } can be written as:
- 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 \Pi \left( X^{3N}|E \right) \propto \int d P^{3N} \delta \left[ K(P^{3N}) - \Delta E \right] } ; (Eq. 1)
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. P^{3N} \right. } stands for the 3N momenta, 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 \Delta E = E - U\left(X^{3N}\right) }
The Integral in the right hand side of Eq. 1 corresponds to the surface of a 3N-dimensional hyper-sphere of radious 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 r = \left. 2 m \Delta E \right. } ; Therefore:
- 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 \Pi \left( X^{3N}|E \right) \propto \left[ E- U(X^{3N}) \right]^{3N-1} }
PEOPLE AT WORK, SORRY FOR ANY INCONVENIENCE