The geometric approximation of physical properties

✍ Scribed by Tuan, D. F.T. (author)

• Publisher: Elsevier Science
• Year: 1970
• Tongue: English
• Weight: 539 KB
• Volume: 7
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(70)80263-9

✦ Synopsis

Electric dipole polarizabilities of the Ne isoelectronic sequence, the Be atom, the H2 moLecuIe, a pair of interacting He atoms, and the magnetic susceptibility of the H2 molecule are c&dated by the geometric approximation. The numerical results are comparable to those obtained from the collpled 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. Schulman and Musher [l] have obtained the dipole polarizability of the hjjdrogen atom ey a doubLe perturbation expansion based on a Hartree-Fock * This work was supported in part by a grant extended to Harvard University by the IUational Science Foundation. GP-14012-X3. ** Since the calculations of the chemical shifts and magnetic susceptibilities in refs. [9,91 arr semi-empirical results, we are cer*Unly interested to see more ab initio caIculations of the geometric approximation to physical properties other than dipole polarizahllity.