期刊
PHYSICAL REVIEW B
卷 81, 期 24, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.81.245116
关键词
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资金
- Basque Unibertsitate eta Ikerketa Saila
- Spanish Ministerio de Ciencia e Innovacion [FIS2006-01343, CSD2006-53]
- National Plan of Scientific Research, Development
- Innovation-Fondo Social Europeo
- MCyT
- Basque Government
In a recent letter we introduced Hellmann-Feynman operator sampling in diffusion Monte Carlo calculations. Here we derive, by evaluating the second derivative of the total energy, an efficient method for the calculation of the static density-response function of a many-electron system. Our analysis of the effect of the nodes suggests that correlation is described correctly and we find that nodal issues can be dealt with.
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