Quantum Monte Carlo Methods
Quantum Monte Carlo Methods
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DOI：
10.1002/chin.199640314
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发表时间：
1996-10
期刊：
影响因子：
--
通讯作者：
S. Fahy
中科院分区：
文献类型：
--
作者：
S. Fahy
The calculation of total energies for solids using the variational quantum Monte Carlo approach is reviewed. The form of a Jastrow-Slater-type wavefunction which gives satisfactory ground state energies for sp-electron systems is described in detail. The use of pseudopotentials to remove core electrons from the calculation is discussed. Examples of applications to carbon and silicon atoms, and to diamond, graphite, and silicon solids are presented.
