The geometric approximation of physical properties

被引:52
作者
Tuan, D. F-T. [1 ,2 ]
机构
[1] Kent State Univ, Dept Chem, Kent, OH 44240 USA
[2] Harvard Univ, Dept Chem, Cambridge, MA 02138 USA
关键词
D O I
10.1016/0009-2614(70)80263-9
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Electric dipole polarizabilities of the Ne isoelectronic sequence, the Be atom, the H-2 molecule, a pair of interacting He atoms, and the magnetic susceptibility of the H2 molecule are calculated by the geometric approximation. The numerical results are comparable to those obtained from the coupled Hartree-Fock method. It is also proved that the geometric approximation provides an approximation to the coupled Hatree-Fock second-order energy. Other remarks on the geometric approximation are also given.
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页码:115 / 120
页数:6
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