A variational Monte Carlo study of the 2s-2p near degeneracy in beryllium, boron, and carbon atoms

摘要

We apply the variational Monte Carlo method to study the beryllium, boron, and carbon atoms. An explicitly correlated wave function is used in order to include the dynamic correlation among the electrons. The nondynamic correlation due to the 2s-2p near degeneracy effect present in these atoms is taken into account by using a multideterminant wave function. (C) 1998 American Institute of Physics. [References: 21]