COUPLED-CLUSTER CALCULATION OF THE STATIC POLARIZABILITIES AND HYPERPOLARIZABILITIES OF MAGNESIUM

被引：14

作者：

CASTRO, MA ^{[1
]}

CANUTO, S ^{[1
]}

机构：

[1] UNIV SAO PAULO, INST FIS, BR-01498 SAO PAULO, BRAZIL

来源：

PHYSICS LETTERS A | 1993年 / 176卷 / 1-2期

关键词：

D O I：

10.1016/0375-9601(93)90324-S

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The dipole and the quadrupole polarisabilities, the dipole-dipole-quadrupole and second dipole hyperpolarisabilities of the magnesium atom are calculated with an extensive basis set by using the coupled-cluster model within the finite-field approximation. At the highest level, the single-reference coupled-cluster double-excitation model corrected to include contributions of single and triple excitations in the so-called CCD+ST(CCD) scheme, the results are 70.89, 810.0, -8.02X10(3) and 1.00X10(5) a.u., respectively, in good agreement with previous single-reference low-order perturbation theory results.

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页码：105 / 108

页数：4

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