화학공학소재연구정보센터
Journal of Chemical Physics, Vol.113, No.1, 71-72, 2000
Explicitly correlated coupled cluster R12 calculations of the dipole polarizability of He-2
The effect of the interatomic interaction on the static dipole polarizability has been reexamined in detail for the He dimer at the equilibrium internuclear distance of R-He ... He=5.6 a(0) by using high-precision explicitly correlated R12 approaches. Our most accurate CCSD(T)-R12 results for the increments of the polarizability are 61.79x10(-3) a.u. for the anisotropy and -1.04x10(-3) a.u. for the trace, not significantly different from recent literature CCSD data and confirming their high accuracy.