科研之友
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摘要
Over the past few decades many new and improved techniques have been developed to calculate ground and excited states of atomic clusters with varying degrees of accuracy. Together with progressively enhanced computer capabilities and the development of sophisticated techniques, the accuracy of results obtained from ab initio methods are closely approximating machine precision. In this paper, we use the finite difference method, whose precision is only governed by the machine precision, together with an optimization criterion to calculate the spectrum of two-body van der Waal clusters. This method is also shown to be robust enough to calculate energies close to the unbinding transition.
- 出版日期2013-8
