Extension of the Genkin and Mednis treatment for dynamic polarizabilities and hyperpolarizabilities of infinite periodic systems. I. Coupled perturbed Hartree–Fock theory
Extension of the Genkin and Mednis treatment for dynamic polarizabilities and hyperpolarizabilities of infinite periodic systems. I. Coupled perturbed Hartree–Fock theory
复制标题
Genkin 和 Mednis 处理无限周期系统动态极化率和超极化率的扩展 I. 耦合扰动 Hartree-Fock 理论。
DOI：
10.1063/1.481907
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发表时间：
2000
影响因子：
4.4
通讯作者：
D. M. Bishop
中科院分区：
文献类型：
--
作者：
B. Kirtman;F. Gu;D. M. Bishop
Genkin 和 Mednis 的非耦合理论 [Sov.物理。 JETP 27, 609 (1968)]对无限周期系统的非线性光学特性进行了扩展，以产生完全解析的耦合扰动 Hartree-Fock 处理。分析了解决同一问题的其他方法的异同。讨论了未来添加电子关联和振动贡献。
The uncoupled theory of Genkin and Mednis [Sov. Phys. JETP 27, 609 (1968)] for the nonlinear optical properties of infinite periodic systems has been extended to yield a fully analytical coupled perturbed Hartree–Fock treatment. Similarities and differences from other approaches to the same problem are analyzed. Future addition of electron correlation and vibrational contributions is discussed.