期刊
JOURNAL OF PHYSICAL CHEMISTRY A
卷 112, 期 10, 页码 2074-2076出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp0776107
关键词
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The domain Green's function Monte Carlo method has been used to calculate the ground-state energy of the atoms Sc through Zn. The fixed node approximation with single-configuration explicitly correlated wave functions is used. A comparison with variational Monte Carlo energies is carried out. The quality of the ground-state energies reported here is similar to that achieved for few-electron atoms using similar techniques.
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