Linear and Non-linear Polarizabilities for P2(X1Σg +)

Abstract Electric polarizabilities and hyperpolarizabilities were calculated from accurate self-consistent field wavefunctions for P 2 . The following values are reported, using the experimental bond length of 1.8934 Å: dipole polarizability α zz = 69.83 and α xx = 41.20 e 2 a 0 2 Eh -1 , second dipole hyperpolarizability γ zzzz = 17 040, γ xxxx = 11 581 and γ xxzz = 4724 e 4 a 0 4 E h -3 , quadrupole polarizability, C zz „zz = 276.14, C xz,xz = 232.64 and C xx,xx = 151.25 e 2 a 0 4 E h -1 , dipole-octopole polarizability, E z,zzz , = 331.00 and E x,xxx = -154.66 e 2 a 0 4 E h -1 and for the dipole-dipole-quadrupole hyperpolarizability, B zz,zz = - 2441, B xz,xz = - 1442, B xx,zz = 866 and B xx,xx = - 1411 e 3 a 0 4 Eh -2 .