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Comparing thermal wave function methods for multi-configuration time-dependent Hartree simulations
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DOI：10.1063/1.4862739.png)
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摘要
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We compare two methods for creating stochastic temperature wave functions that can be used for Multi-Configuration Time-Dependent Hartree (MCTDH) simulations. In the first method, the MCTDH coefficients are chosen randomly, while the other method uses a single Hartree product of random single-particle functions (SPFs). We find that using random SPFs dramatically improves convergence for a model system for surface sticking. (C) 2014 AIP Publishing LLC.
Keyword:
DYNAMICS
MCTDH
RELAXATION
HYDROGEN
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3.1
论文数:
7.2W
被引数:
23.2W
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