From e0b86e41ed78ff49dc392628ec0b14824104c3a5 Mon Sep 17 00:00:00 2001 From: Reshna Date: Thu, 30 Nov 2023 21:45:22 -0500 Subject: [PATCH 1/2] Manage plot and picture. --- cubic_rectangular_configurations.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/cubic_rectangular_configurations.md b/cubic_rectangular_configurations.md index bc43f64..4fb63de 100644 --- a/cubic_rectangular_configurations.md +++ b/cubic_rectangular_configurations.md @@ -77,7 +77,7 @@ initial U : -16.037660834699643 eV Binding Energy: -8.0188 eV ``` - ![Alt text](images/initial_cubic_output-1.png) + ![Alt text](images/initial_cubic_output.png) ## Optimization: From ce67c8d89268378c42a1f0cbda743cf2462956d1 Mon Sep 17 00:00:00 2001 From: Reshna Date: Thu, 30 Nov 2023 21:47:33 -0500 Subject: [PATCH 2/2] Add potential formula in png to manage md issue. --- cubic_rectangular_configurations.md | 5 +---- images/potential.png | Bin 0 -> 11555 bytes 2 files changed, 1 insertion(+), 4 deletions(-) create mode 100644 images/potential.png diff --git a/cubic_rectangular_configurations.md b/cubic_rectangular_configurations.md index 4fb63de..b1d5963 100644 --- a/cubic_rectangular_configurations.md +++ b/cubic_rectangular_configurations.md @@ -32,10 +32,7 @@ A tetramer of NaCl is a cluster of four sodium ions (Na+) and four chloride ions ## THE ION–ION POTENTIAL: The two-body (Na and Cl) potential consists of the sum of the attractive or repulsive point charge Coulomb energy and the repulsive Pauli energy. - -$$ -U\left(r_{i j}\right)=\left\{\begin{array}{l}{-\frac{e^{2}}{4 \pi \epsilon_{0} r_{i j}}+\alpha e^{-r_{i j} / \rho}+b\left(\frac{c}{r_{i j}}\right)^{12}} (\mathrm{+ -})\\ {+\frac{e^{2}}{4 \pi \epsilon_{0} r_{i j}}+b\left(\frac{c}{r_{i j}}\right)^{12}} (\mathrm{++ or --}) \end{array}\right. -$$ +![Alt text](images/potential.png) where the Coulomb force has constant: diff --git a/images/potential.png b/images/potential.png new file mode 100644 index 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