화학공학소재연구정보센터
Journal of Chemical Physics, Vol.114, No.2, 615-616, 2001
Adiabatic positron affinity of LiH
The equilibrium geometry of the positronic molecule e(+)LiH has been found, using the explicitly correlated Gaussian functions in the variational calculations. The value of the adiabatic positron affinity of lithium hydride has been calculated. The influence of the geometry relaxation on the properties of the system has also been shortly discussed.