GENERALIZED SUM-RULES FOR OPTICAL NONLINEARITIES OF MANY-ELECTRON SYSTEMS
GENERALIZED SUM-RULES FOR OPTICAL NONLINEARITIES OF MANY-ELECTRON SYSTEMS
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DOI：
10.1063/1.470283
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发表时间：
1995-11-01
影响因子：
4.4
通讯作者：
MUKAMEL, S
中科院分区：
文献类型：
--
作者：
CHERNYAK, V;MUKAMEL, S
导出了非相对论多电子系统的线性和非线性光学系数的谱矩与基态性质之间的求和规则。这些求和规则提供了化学键和光学性质之间的直接联系，并可能有助于构建电子光谱有效建模的紧束缚哈密顿量。在含时Hartree-Fock近似中，唯一相关的基态信息是Hartree-Fock基态约化单电子密度矩阵。(C)1995年美国物理学会。
Sum rules which connect spectral moments of linear and nonlinear optical susceptibilities of nonrelativistic many-electron systems to their ground state properties are derived. These sum rules provide a direct connection between chemical bonding and optical properties and may assist in constructing tight-binding Hamiltonians for the effective modeling of electronic spectroscopy. In the time-dependent Hartree-Fock approximation, the only relevant ground state information is the Hartree-Fock ground stated reduced single-electron density matrix. (C) 1995 American Institute of Physics.