Quadrupole polarizability and hyperpolarizability of carbon monoxide

Summary We report a study of the electric dipole-quadrupole (A_,,), quadrupole-quadrupole (C_,,), dipole-octopole (E_,) polarizability and the dipole-dipole-quadrupole (B_,,) hyperpolarizability of carbon monoxide. All values are obtained from finite-field self-consistent field (SCF) and fourth-order manybody perturbation theory (MP4) calculations. Our best values for the dipole-octopole polarizability areE_z,zzz=60.19 andE_x,xxx=–38.06e²a₀⁴E_h^–1. For the dipole-dipole-quadrupole hyperpolarizability we reportB_zz,zz=–296,B_xz,xz=–170,B_xx,zz=88 andB_xx,xx=–178e³a₀⁴E_h^–2.