Fully coupled six-dimensional calculations of the water dimer vibration-rotation-tunneling states...
摘要:
Presents a novel and efficient pseudospectral method for performing fully coupled six-dimensional bound state dynamics calculations. Rotational effects; Lanczos-based iterative diagonalization scheme's production of energy levels in increasing energies; Circumvention of constructing the full matrix; Quantum Monte Carlo dynamic methods.
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年份:
1997
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