TY - JOUR
T1 - On polarizability calculations
AU - Nir, Shlomo
AU - Adams, Steve
AU - Rein, Robert
PY - 1972
Y1 - 1972
N2 - A semiempirical procedure is developed for the calculation of the dispersion of refractive index, polarizability, and dielectric permeability which are treated as complex quantities. A good agreement between calculated and observed values of refractive indices is obtained for all substances treated. The previously determined values for the static polarizability agree with the present results for the contribution of the electronic motion to the polarizability, this contribution being about the same for both the liquid and gaseous states of hydrogen, oxygen, and water. The value obtained for the static polarizability of liquid water is about 2.8 fold greater than the results of previous calculations; it is conjectured that most of the contribution is due to atomic and molecular motions.
AB - A semiempirical procedure is developed for the calculation of the dispersion of refractive index, polarizability, and dielectric permeability which are treated as complex quantities. A good agreement between calculated and observed values of refractive indices is obtained for all substances treated. The previously determined values for the static polarizability agree with the present results for the contribution of the electronic motion to the polarizability, this contribution being about the same for both the liquid and gaseous states of hydrogen, oxygen, and water. The value obtained for the static polarizability of liquid water is about 2.8 fold greater than the results of previous calculations; it is conjectured that most of the contribution is due to atomic and molecular motions.
UR - http://www.scopus.com/inward/record.url?scp=84987138379&partnerID=8YFLogxK
U2 - 10.1002/qua.560060630
DO - 10.1002/qua.560060630
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AN - SCOPUS:84987138379
SN - 0020-7608
VL - 6
SP - 295
EP - 300
JO - International Journal of Quantum Chemistry
JF - International Journal of Quantum Chemistry
IS - 6 S
ER -