Differences

This shows you the differences between two versions of the page.

--- basis_sets [2015/07/29 11:02] – oschuett
+++ basis_sets [2020/08/21 10:15] – external edit 127.0.0.1
@@ Line 57: / Line 57: @@
 \varphi_2(\vec r) &=  Y_{0,0} \cdot e^{-0.056 r^2} \\
-\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_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} - 0.356 \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_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} - 0.356 \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_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} - 0.356 \cdot e^{-0.056 r^2} \right ] \\
 \varphi_6(\vec r) &=  Y_{1,-1} \cdot r \cdot e^{-0.056 r^2} \\