Density Matrices for the Correlated States : Sort = 2 Atom = 3 and Orbital l = 2 Writing the matrix as : [ block up/up | block up/dn ] with [ block dn/up | block dn/dn ] # For the Up/Up block : 0.003574 0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000000 0.254943 -0.000000 -0.020080 0.048438 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.020080 -0.048438 0.011530 0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 0.363933 -0.000000 0.157594 -0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 0.157594 -0.000000 0.363933 -0.000000 # For the Down/Down block : 0.003574 0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 0.254943 0.000000 0.020080 0.048438 -0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 0.020080 -0.048438 0.011530 -0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.363933 0.000000 -0.157594 -0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 -0.157594 -0.000000 0.363933 0.000000 # For the Up/Down block : -0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 0.028268 0.000554 -0.028268 -0.000554 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.111512 0.018026 -0.111512 0.018026 0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.014697 0.018147 0.014697 0.018147 -0.028268 -0.000554 0.111512 -0.018026 0.014697 0.018147 -0.000000 -0.000000 0.000000 0.000000 -0.028268 -0.000554 -0.111512 0.018026 -0.014697 -0.018147 0.000000 0.000000 -0.000000 0.000000 # For the Down/Up block : -0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.028268 0.000554 -0.028268 0.000554 0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 0.111512 0.018026 -0.111512 -0.018026 0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.014697 -0.018147 -0.014697 0.018147 0.028268 -0.000554 -0.111512 -0.018026 0.014697 -0.018147 -0.000000 0.000000 0.000000 -0.000000 -0.028268 0.000554 -0.111512 -0.018026 0.014697 -0.018147 0.000000 -0.000000 -0.000000 -0.000000 The charge of the orbital is : 1.99583