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Both sides previous revision Previous revision
basis_sets [2015/07/29 13:02]
oschuett
basis_sets [2017/10/04 16:56] (current)
152.88.80.182 fixed small copy mistake
Line 57: Line 57:
 \varphi_2(\vec r) &​= ​ Y_{0,0} \cdot e^{-0.056 r^2} \\ \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} \\ \varphi_6(\vec r) &​= ​ Y_{1,-1} \cdot r \cdot e^{-0.056 r^2} \\
basis_sets.txt ยท Last modified: 2017/10/04 16:56 by 152.88.80.182