铍原子基态交换-相关能的多体理论计算

到目前为止,几乎所有的关于原子基态的多体计算都是以Hartree-Fock(HF)模型为零级近似。本文将零级哈密顿量取为Hartree-Fock-Slater(HFS)型的,在双激发(两体)近似下,对Be原子基态交换-相关能进行了多体理论计算,得到了与实验及别的作者以HF模型为零级近似所作多体计算相符合的结果。计算表明,以HFS模型为零级近似,对闭合壳层原子基态亦可成功地进行多体计算。 关键词：

ATOMIC MANY-BODY CALCULATIONS ON THE GROUND STATE EXCHANGE-CORRELATION ENERGY OF BERYLLIUM ATOM

Up to now, almost all many-body theoretical calculations on the ground state of atoms took the Hartree-Fock (HF) model as zeroth order approximation. In this paper, zeroth order Hamiltonian is taken to be Hartree-Fock-Slater (HFS) type, in the double excitation approximation, many-body calculation on the ground state exchangecorrelation energy of beryllium atom is made, the result is in good agreement with experiments and other many-body theoretical calculations, which take HF model as zeroth order approximation. Our calculation shows that, take the HFS model as zeroth order approximation instead, successful many-body calculation on the ground state property of closed shell atoms can also be made.