Molecular multipoles and (hyper)polarizabilities of water by ab initio calculations
Sign Up to like & getrecommendations! Published in 2020 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2020.137555
Abstract: Abstract The dipole, quadrupole, octopole, hexadecapole, dipole polarizability, first hyperpolarizability, second hyperpolarizability, dipole-quadrupole polarizability, dipole–dipole-quadrupole polarizability, quadrupole–quadrupole polarizability, and dipole-octopole polarizability of water molecule are calculated by CCSD(T) level of theory and complete basis set… read more here.
Keywords: water; quadrupole polarizability; polarizability; experimental measurements ... See more keywords