pub const C2S_L3: C2S;Expand description
The transofrmation matrix from Cartesian to spheric for L=3
let b1 = 1.060660171779821287; // 3/4sqrt(2); a4
let b2 = -0.790569415042094833; // -sqrt(10)/4; -a5
let b3 = 0.790569415042094833; // sqrt(10)/4; a5
let b4 = -1.060660171779821287; // -3/4sqrt(2); -a4
let b5 = 0.866025403784438647; // sqrt(3)/2; a6
let b6 = -0.866025403784438647; // -sqrt(3)/2; -a6
let b7 = -0.273861278752583057; // -sqrt(6/5)/4; -0.25a7
let b8 = -0.612372435695794525; // -sqrt(6)/4; -0.25s6
let b9 = 1.095445115010332227; // sqrt(6/5); a7
let b10 = -0.670820393249936909; // -3/sqrt(5)/2
let rel_max = [
// 0 1 2 3 4 5 6 7 8 9
// xxx, xxy, xxz, xyy, xyz, xzz, yyy, yyz, yzz, zzz
0.0, b1, 0.0, 0.0, 0.0, 0.0, b2, 0.0, 0.0, 0.0, //(3,-3)
0.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 0.0, 0.0, //(3,-2)
0.0, b7, 0.0, 0.0, 0.0, 0.0, b8, 0.0, b9, 0.0, //(3,-1)
0.0, 0.0, b10, 0.0, 0.0, 0.0, 0.0, b10, 0.0, 1.0, //(3, 0)
b8, 0.0, 0.0, b7, 0.0, b9, 0.0, 0.0, 0.0, 0.0, //(3, 1)
0.0, 0.0, b5, 0.0, 0.0, 0.0, 0.0, b6, 0.0, 0.0, //(3, 2)
b3, 0.0, 0.0, b4, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, //(3, 3)
].to_vec();