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Most of the variational Monte Carlo applications on quantum chemistry problems rely on variance-optimized wave functions. Recently, M. Snajdr and S. M. Rothstein, [J. Chem. Phys. 112, 4935 (2000)] have concluded that energy optimization allows one to obtain wave functions that provide better values for a wide variety of ground state properties. In this work we study the quality of energy-optimized wave functions obtained by using the methodology of Lin, Zhang, and Rappe [J. Chem. Phys. 112, 2650 (2000)], as compared with variance-optimized ones for He to Ne atoms. In order to assess this problem we calculate the energy and some other selected properties. The accuracy and performance of the energy-optimization method is studied. A comparison of properties calculated with energy-optimized wave functions to those existing in the literature and obtained by means of variance-optimized wave functions shows a better performance of the former.
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Gálvez et al. (2001) studied this question.
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