计算中低能量电子与水分子弹性散射微分截面

Differential cross sections of intermediate-energy electrons elastic scattering from H_2O molecule

运用耦合通道光学势方法计算了在中低能量下的电子与水分子碰撞弹性散射微分截面,其中靶的极化效应被包含在一个从头算的等价局域势中.随后将计算结果与实验值和其它理论计算结果进行了比较,结果显示这种计算方法对于电子与极化分子体系碰撞是非常适用的.

The momentum-space optical potential method has been used to calculate the differential cross sections of electrons elastic scattering from water molecules at the intermediate energies. The polarization is taken into account via an ab initio equivalent-local potential. Differential cross sections are compared with experimental measurements and other theoretical calculations. The present calculations show that the momentum-space optical potential method is capable of calculating electron scattering from polar molecule.