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• W4237126912 abstract "The diffusion quantum Monte Carlo method (DMC) is capable of calculating accurately the electronic energy for molecules and molecular aggregates. An overview is given on recent developments for the optimization of the guide function that determines the accuracy of the method. Furthermore, the versatility of DMC is shown with applications to Rydberg states, transition metal compounds, and weakly interacting systems." @default.
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• W4237126912 date "2010-01-01" @default.
• W4237126912 modified "2023-10-14" @default.
• W4237126912 title "Electron Structure Quantum Monte Carlo" @default.
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• W4237126912 doi "https://doi.org/10.1524/9783486711639.53" @default.
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