In [63]:

    

import numpy as np
import scipy.special as num


    

In [64]:

    

A=np.array([0,0,0])*1.8897259886
B=A
#B=np.array([1.13858,0,0])*1.8897259886
C=np.array([0,0,0])*1.8897259886
D=np.array([1.13858,0,0])*1.8897259886
chargeC=6
chargeO=8
decay_A=2.263101
decay_B=decay_A
#decay_B=47.105518


    

In [65]:

    

zeta=decay_A+decay_B
xi=decay_A*decay_B/zeta
P=(decay_A*A+decay_B*B)/zeta
U1=zeta*(np.dot(P-C,P-C))
U2=zeta*(np.dot(P-D,P-D))
Normalisation_A=(2*decay_A/np.pi)**0.75
Normalisation_B=(2*decay_B/np.pi)**0.75


    

In [66]:

    

ss=(np.pi/zeta)**1.5*np.exp(-xi*np.dot(A-B,A-B))*Normalisation_A*Normalisation_B
print ss1


    

    




1.0

In [72]:

    

def F(T):
    if T!=0.0:
        return 0.5*num.erf(np.sqrt(T))*(np.pi/T)**0.5
    else:
        return 1


    

In [73]:

    

sNucs1=2*(zeta/np.pi)**0.5*ss*F(U1)
print U1,F(U1)
sNucs2=2*(zeta/np.pi)**0.5*ss*F(U2)
print U2,F(U2)
print sNucs1,sNucs2
print chargeC*sNucs1+chargeO*sNucs2


    

    




0.0 1
20.9536027195 0.193604562597
2.40061229145 0.464769492652
18.1218296899

In [74]:

    

2*(2*decay_A/np.pi)**0.5


    

    
Out[74]:





2.4006122914497006

In [2]:

    

(1.13858*1.8897259886)**2


    

    
Out[2]:





4.629400702740104

In [ ]:

    

qq