First-order relativistic corrections to response properties: the hyperpolarizability of the Ne atom

被引：20

作者：

Klopper, W ^{[1
]}

Coriani, S

Helgaker, T

Jorgensen, P

机构：

[1] Univ Karlsruhe, Lehrstuhl Theoret Chem, Inst Chem Phys, D-76128 Karlsruhe, Germany

[2] Forschungszentrum Karlsruhe, Inst Nanotechnol, D-76021 Karlsruhe, Germany

[3] Univ Trieste, Dipartimento Sci Chim, I-34127 Trieste, Italy

[4] Univ Oslo, Dept Chem, N-0315 Oslo, Norway

[5] Aarhus Univ, Dept Chem, DK-8000 Aarhus C, Denmark

来源：

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS | 2004年 / 37卷 / 18期

关键词：

D O I：

10.1088/0953-4075/37/18/015

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

The computation of first-order relativistic corrections to electrical response properties has been implemented into the Dalton program at the level of closed-shell coupled-cluster theory, within the framework of the direct perturbation theory (DPT) of relativistic effects. Calculations of the first-order relativistic DPT corrections to the static and frequency-dependent dipole polarizability (alpha) and second dipole hyperpolarizability (gamma) of the Ne atom illustrate possible applications of the new code.

引用

页码：3753 / 3763

页数：11

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