" /> electron density function - CISMeF





Preferred Label : electron density function;

IUPAC definition : The electron probability distribution function, ρ, defined as \[\rho (\mathbf{r}) n\ \int \Psi {{*}}\left[\mathbf{r}(1),\mathbf{r}(2)\,{...}\,\mathbf{r}(n)\right]\ \Psi \left[\mathbf{r}(1),\mathbf{r}(2)\,{...}\,\mathbf{r}(n)\right]{d}\mathbf{r}(2)\,{...}\,{d}\mathbf{r}(n)\] where Ψ is an electronic wave-function and integration is made over the coordinates of all but the first electron of n. The physical interpretation of the electron density function is that ρ d r gives the probability of finding an electron in a volume element dr, i i.e /i ., electron density in this volume.;

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The electron probability distribution function, ρ, defined as \[\rho (\mathbf{r}) n\ \int \Psi {{*}}\left[\mathbf{r}(1),\mathbf{r}(2)\,{...}\,\mathbf{r}(n)\right]\ \Psi \left[\mathbf{r}(1),\mathbf{r}(2)\,{...}\,\mathbf{r}(n)\right]{d}\mathbf{r}(2)\,{...}\,{d}\mathbf{r}(n)\] where Ψ is an electronic wave-function and integration is made over the coordinates of all but the first electron of n. The physical interpretation of the electron density function is that ρ d r gives the probability of finding an electron in a volume element dr, i i.e /i ., electron density in this volume.

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31/07/2025


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