def get_cart_orb_norm(alpha, nx, ny, nz):
"""Returns the norm of a Cartesian gaussian funcion"""
return sqrt(
int(fac2(2*nx-1)*fac2(2*ny-1)*fac2(2*nz-1))
/(2*alpha/pi)**(3/S(2))
/(4*alpha)**(nx+ny+nz)
)
def get_pure_orb_norm(alpha, l):
"""Returns the norm of a pure gaussian funcion"""
return sqrt(
int(fac2(2*l-1))
/(2*alpha/pi)**(3/S(2))
/(4*alpha)**l
)
def get_pure_orb_norm(alpha, l):
"""Returns the norm of a pure gaussian funcion"""
return sqrt(int(fac2(2 * l - 1)) / (2 * alpha / pi)**1.5 / (4 * alpha)**l)
def get_cart_orb_norm(alpha, nx, ny, nz):
"""Returns the norm of a Cartesian gaussian funcion"""
return sqrt(
int(fac2(2 * nx - 1) * fac2(2 * ny - 1) * fac2(2 * nz - 1)) /
(2 * alpha / pi)**1.5 / (4 * alpha)**(nx + ny + nz))
def get_pure_wfn_norm(alpha, l):
return sqrt(int(fac2(2*l+1))*sqrt(pi/alpha/2)**3/(4*alpha)**l/(4*pi))
def get_cartesian_wfn_norm(alpha, l, m, n):
return sqrt(
int(fac2(2*l-1)*fac2(2*m-1)*fac2(2*n-1))/
sqrt((2*alpha/pi)**3*2**(4*(l+m+n))*alpha**(2*(l+m+n)))
)