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• W2000596522 abstract "As proposed by Ceperley and Bernu, the excited-state energies can be obtained from imaginary-time cross-correlation functions (rather than autocorrelation functions) generated by quantum Monte Carlo (QMC) simulations. We show that, when processed by the filter diagonalization method (FDM), the same cross-correlation functions yield excited-state energies of higher accuracy and greater stability. The reason is that unlike the other methods FDM uses all the time domain information available. The superior performance of the cross-correlation FDM is demonstrated for a two-dimensional harmonic oscillator with closely lying eigenvalues. Because QMC does not take advantage of the separability in the Hamiltonian, this model system provides a challenging and generic test case." @default.
• W2000596522 created "2016-06-24" @default.
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• W2000596522 date "2003-06-04" @default.
• W2000596522 modified "2023-10-14" @default.
• W2000596522 title "Computing Energy Levels by Inversion of Imaginary-Time Cross-Correlation Functions" @default.
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• W2000596522 doi "https://doi.org/10.1021/jp034381p" @default.
• W2000596522 hasPublicationYear "2003" @default.
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