pub const C2S_L4: C2S;Expand description
The transofrmation matrix from Cartesian to spheric for L=3 let c1 = -0.878310065653679861; // 3\sqrt(3)/\sqrt(35) let c2 = 0.219577516413419965; // -a1/4 let c3 = 1.195228609334393640; // sqrt(10/7) let c4 = -0.896421457000795230; // -3/4sqrt(10/7) let c5 = -0.400891862868636577; // -3/4sqrt(2/7) let c6 = 0.981980506061965716; //3/2sqrt(3/7) let c7 = -0.981980506061965716; //-3/2sqrt(3/7) let c8 = -0.559016994374947424; //-sqrt(5)/4 let c9 = 0.559016994374947424; // sqrt(5)/4 let c10 = 1.133893419027681682; // 3/sqrt(7) let c11 = -0.422577127364258289; // -sqrt(5/7)/2 let c12 = 0.790569415042094833; // sqrt(10)/4 let c13 = -1.060660171779821287; // -3sqrt(2)/4 let c14 = -0.790569415042094833; // -sqrt(10)/4 let c15 = 1.060660171779821287; // 3sqrt(2)/4 let c16 = 0.739509972887452005; // sqrt(35)/8 let c17 = -1.299038105676657970; // -3sqrt(3)/4 let c18 = 1.118033988749894848; // sqrt(5)/2 let c19 = -1.118033988749894848; // -sqrt(5)/2 let rel_max = [ // 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 // xxxx, xxxy, xxxz, xxyy, xxyz, xxzz, xyyy, xyyz, xyzz, xzzz yyyy yyyz yyzz yzzz zzzz 0.0, c18, 0.0, 0.0, 0.0, 0.0, c19, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, //(4,-4) 0.0, 0.0, 0.0, 0.0, c15, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, c14, 0.0, 0.0, 0.0, //(4,-3) 0.0, c11, 0.0, 0.0, 0.0, 0.0, c11, 0.0, c10, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, //(4,-2) 0.0, 0.0, 0.0, 0.0, c5, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, c4, 0.0, c3, 0.0, //(4,-1) 0.375, 0.0, 0.0, c2, 0.0, c1, 0.0, 0.0, 0.0, 0.0,0.375, 0.0, c1, 0.0, 1.0, //(4, 0) 0.0, 0.0, c4, 0.0, 0.0, 0.0, 0.0, c5, 0.0, c3, 0.0, 0.0, 0.0, 0.0, 0.0, //(4, 1) c8, 0.0, 0.0, 0.0, 0.0, c6, 0.0, 0.0, 0.0, 0.0, c9, 0.0, c7, 0.0, 0.0, //(4, 2) 0.0, 0.0, c12, 0.0, 0.0, 0.0, 0.0, c13, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, //(4, 3) c16, 0.0, 0.0, c17, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, c16, 0.0, 0.0, 0.0, 0.0, //(4, 4) ].to_vec();