首页> 外文期刊>Philosophical magazine, B. Physics of condensed matter, electronic, optical, and magnetic properties >The 1s(2) -> 1s2p(P-1) excitation energy for helium atoms in liquid helium, solid helium and helium bubbles in metals
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The 1s(2) -> 1s2p(P-1) excitation energy for helium atoms in liquid helium, solid helium and helium bubbles in metals

机译:液态氦中的氦原子,金属中的固态氦和氦气泡的1s(2)-> 1s2p(P-1)激发能

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The energy of the He 1s(2) --> 1s2p(P-1) transition for helium atoms in liquid helium, solid helium and helium bubbles in metals is greater than for free helium atoms by an amount known as the energy shift. The energy shift is calculated by combining the results of ab-initio self-consistent field electronic structure calculations with corrections to account for the effects of electron correlation. The corrections consist of a short-range correlation energy which is calculated using density functional theory and a dispersion energy which is calculated using a modified form of the van der Waals interaction. The method allows significant improvements to be made on previous calculations and the predicted Values of the energy shift are in good agreement with the experimental results. [References: 45]
机译:液态氦,金属中的固态氦和氦气泡中He原子的He 1s(2)-> 1s2p(P-1)跃迁的能量比自由氦原子中的He跃迁的能量大,称为能量转移。通过将从头算起的自洽场电子结构计算结果与校正值相结合来计算能量偏移,以解决电子相关性的影响。校正包括使用密度泛函理论计算的短程相关能量和使用范德华相互作用的改进形式计算的色散能量。该方法可以对先前的计算进行重大改进,并且能量位移的预测值与实验结果非常吻合。 [参考:45]

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