多体展式,many-body expansion
many body expansion多体项展式
1.The analytical potential energy function for the ground state of HCl\++\-2(X\+1A′) is derived bymany body expansion method using its equilibrium geometry, dissociation energy, harmonic frequencies and force constants calculated.优化并计算了HCl2 + (X1A′)系统的几何构型、离解能和谐性力常数 ,采用C2V对称结构作为参考坐标 ,并用多体项展式方法导出了其势能函数的分析表达式 。
3)Manybody expansion method多体展式法
4)many-body expansion method多体项展式方法
1.The analytical potential energy function for the ground state OUH ( 4A′) was derived using themany-body expansion method.采用多体项展式方法 ,导出OUH( X4 A′)基态分子的分析势能函数 ,获得OUH( X4 A′)体系的势能面 ,考察了这个势能函数的基本性质 ,正确地复现出OUH分子的平衡结构特征 。
5)many-body expansion theory多体项展式理论
1.The potential energy function of CH2 has been derived from themany-body expansion theory.034 eV,用多体项展式理论推导了基态CH2分子的解析势能函数,其等值势能图准确再现了基态CH2分子的结构特征及其势阱深度与位置。
2.Similarly,the harmonic frequency has been calculated and the analytic potential energy function of linear molecule N2O isomer is derived bymany-body expansion theory for the first time.在此基础上,使用多体项展式理论方法,导出NO分子的全空间解析势能函数,该势能函数准确再现了NO(C)平衡结构。
3.For the ground state of GeH_2(X~1A_1),the analytic potential energy function has been derived by themany-body expansion theory,which is successfully described its configuration and the dissociation energy.应用多体项展式理论导出了基态GeH_2分子的解析势能函数,其等值势能图准确再现了基态GeH_2分子的结构特征。
6)Many-body expansion theory多体展式理论
1.The Murrell-Sorbie potential energy function of SiH molecule has been derived to befitted ab initio data through the least square fitting,and the potential energy function of SiH2 is driven by many-body expansion theory.采用最小二乘法拟合出SiH分子的Murrell-Sorbie势能函数,在此基础上导出光谱数据和力常数;并通过多体展式理论导出SiH2分子的势能函数,正确地反应了其平衡构型特征。
2.The analytic potential energy function of SiOH molecule was derived by many-body expansion theory.应用多体展式理论方法推导出了SiOH基态分子的解析势能函数。
3.The analytic potential energy function of AlOH molecule was derived by many-body expansion theory.应用多体展式理论方法推导出了AlOH基态分子的解析势能函数。
延伸阅读
半硬壳式弹体(见弹道导弹弹体)半硬壳式弹体(见弹道导弹弹体)semi-hard-shelled missile bodybQn yingkeshi dan桩半硬壳式弹体(semi一hard一shelled、ssilebody)见弹道导弹弹体。
