物理
激发态
密度泛函理论
含时密度泛函理论
原子物理学
能量(信号处理)
国家(计算机科学)
功能理论
能量交换
能量密度
局部密度近似
量子力学
理论物理学
算法
计算机科学
大气科学
作者
Md Shamim,Manoj K. Harbola
标识
DOI:10.1088/0953-4075/43/21/215002
摘要
Transition energies of a new class of excited states (two-gap systems) of various atoms are calculated in time-independent density functional formalism by using a recently proposed local density approximation exchange energy functional for excited states. It is shown that the excitation energies calculated with this functional compare well with those calculated with exact exchange theories.
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