Differences

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--- basis_sets [2015/03/23 15:08] – [Construction] 129.132.210.65
+++ basis_sets [2015/03/23 15:31] – [File Format] 129.132.210.65
@@ Line 57: / Line 57: @@
 \varphi_2(\vec r) &=  Y_{0,0} \cdot e^{-0.056 r^2} \\
-\varphi_3(\vec r) &=  Y_{1,-1}\left [0.046 \cdot e^{-1.181r^2}  -0.263 \cdot e^{-0.445r^2} -0.543 \cdot e^{-0.164r^2} - 0.543 \cdot e^{-0.056 r^2} \right ] \\
+\varphi_3(\vec r) &=  Y_{1,-1}\cdot r \left [0.046 \cdot e^{-1.181r^2}  -0.263 \cdot e^{-0.445r^2} -0.543 \cdot e^{-0.164r^2} - 0.543 \cdot e^{-0.056 r^2} \right ] \\
-\varphi_4(\vec r) &=  Y_{1,0}\left [0.046 \cdot e^{-1.181r^2}  -0.263 \cdot e^{-0.445r^2} -0.543 \cdot e^{-0.164r^2} - 0.543 \cdot e^{-0.056 r^2} \right ] \\
+\varphi_4(\vec r) &=  Y_{1,0}\cdot r \left [0.046 \cdot e^{-1.181r^2}  -0.263 \cdot e^{-0.445r^2} -0.543 \cdot e^{-0.164r^2} - 0.543 \cdot e^{-0.056 r^2} \right ] \\
-\varphi_5(\vec r) &=  Y_{1, +1}\left [0.046 \cdot e^{-1.181r^2}  -0.263 \cdot e^{-0.445r^2} -0.543 \cdot e^{-0.164r^2} - 0.543 \cdot e^{-0.056 r^2} \right ] \\
+\varphi_5(\vec r) &=  Y_{1, +1}\cdot r \left [0.046 \cdot e^{-1.181r^2}  -0.263 \cdot e^{-0.445r^2} -0.543 \cdot e^{-0.164r^2} - 0.543 \cdot e^{-0.056 r^2} \right ] \\
-\varphi_6(\vec r) &=  Y_{1,-1} \cdot e^{-0.056 r^2} \\
+\varphi_6(\vec r) &=  Y_{1,-1} \cdot r \cdot e^{-0.056 r^2} \\
-\varphi_7(\vec r) &=  Y_{1,0} \cdot e^{-0.056 r^2}  \\
+\varphi_7(\vec r) &=  Y_{1,0} \cdot r \cdot e^{-0.056 r^2}  \\
-\varphi_8(\vec r) &=  Y_{1, +1} \cdot e^{-0.056 r^2}
+\varphi_8(\vec r) &=  Y_{1, +1} \cdot r \cdot e^{-0.056 r^2}
 \end{align}
@@ Line 78: / Line 78: @@
 \begin{align}
-\varphi_9(\vec r) &=  Y_{2,-2} \cdot e^{-0.45 r^2}  \\
+\varphi_9(\vec r) &=  Y_{2,-2} \cdot r^2 \cdot e^{-0.45 r^2}  \\
-\varphi_{10}(\vec r) &=  Y_{2,-1} \cdot e^{-0.45 r^2}  \\
+\varphi_{10}(\vec r) &=  Y_{2,-1} \cdot r^2 \cdot e^{-0.45 r^2}  \\
-\varphi_{11}(\vec r) &=  Y_{2,0} \cdot e^{-0.45 r^2}  \\
+\varphi_{11}(\vec r) &=  Y_{2,0} \cdot r^2 \cdot e^{-0.45 r^2}  \\
-\varphi_{12}(\vec r) &=  Y_{2, +1} \cdot e^{-0.45 r^2}  \\
+\varphi_{12}(\vec r) &=  Y_{2, +1} \cdot r^2 \cdot e^{-0.45 r^2}  \\
-\varphi_{13}(\vec r) &=  Y_{2, +2} \cdot e^{-0.45 r^2}
+\varphi_{13}(\vec r) &=  Y_{2, +2} \cdot r^2 \cdot e^{-0.45 r^2}
 \end{align}