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
