def three_center(gA, gB, gC): "Three-center integral between Gaussians" na = gA.norm nb = gB.norm nc = gC.norm ix = three_center_1D(gA.origin[0], gA.powers[0], gA.exp, gB.origin[0], gB.powers[0], gB.exp, gC.origin[0], gC.powers[0], gC.exp) iy = three_center_1D(gA.origin[1], gA.powers[1], gA.exp, gB.origin[1], gB.powers[1], gB.exp, gC.origin[1], gC.powers[1], gC.exp) iz = three_center_1D(gA.origin[2], gA.powers[2], gA.exp, gB.origin[2], gB.powers[2], gB.exp, gC.origin[2], gC.powers[2], gC.exp) return na * nb * nc * ix * iy * iz
def three_center(gA,gB,gC): "Three-center integral between Gaussians" na = gA.norm nb = gB.norm nc = gC.norm ix = three_center_1D(gA.origin[0],gA.powers[0],gA.exp, gB.origin[0],gB.powers[0],gB.exp, gC.origin[0],gC.powers[0],gC.exp) iy = three_center_1D(gA.origin[1],gA.powers[1],gA.exp, gB.origin[1],gB.powers[1],gB.exp, gC.origin[1],gC.powers[1],gC.exp) iz = three_center_1D(gA.origin[2],gA.powers[2],gA.exp, gB.origin[2],gB.powers[2],gB.exp, gC.origin[2],gC.powers[2],gC.exp) return na*nb*nc*ix*iy*iz
def three_center(gA,gB,gC): "Three-center integral between Gaussians" na = gA._normalization nb = gB._normalization nc = gC._normalization ix = three_center_1D(gA._origin[0],gA._powers[0],gA._exponent, gB._origin[0],gB._powers[0],gB._exponent, gC._origin[0],gC._powers[0],gC._exponent) iy = three_center_1D(gA._origin[1],gA._powers[1],gA._exponent, gB._origin[1],gB._powers[1],gB._exponent, gC._origin[1],gC._powers[1],gC._exponent) iz = three_center_1D(gA._origin[2],gA._powers[2],gA._exponent, gB._origin[2],gB._powers[2],gB._exponent, gC._origin[2],gC._powers[2],gC._exponent) return na*nb*nc*ix*iy*iz